data_image0
_chemical_formula_structural       HgTe18W9
_chemical_formula_sum              "Hg1 Te18 W9"
_cell_length_a       10.65022866621408
_cell_length_b       10.65022866621408
_cell_length_c       18.62392442646693
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000000000001

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  'x, y, z'

loop_
  _atom_site_type_symbol
  _atom_site_label
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  Hg  Hg1       1.0  0.22340588543730902  0.1116983490906222  0.8006303859420829  1.0000
  Te  Te1       1.0  0.8891464505742275  0.7784620282617973  0.5955368676776138  1.0000
  Te  Te2       1.0  0.889091273626775  0.44455488863335924  0.4032890129406758  1.0000
  Te  Te3       1.0  0.8891558094097071  0.4445855855930362  0.5931476712646351  1.0000
  Te  Te4       1.0  0.8883657103427979  0.1115384656096828  0.3999814569741539  1.0000
  Te  Te5       1.0  0.889174343172696  0.11070118487609461  0.5955325653778049  1.0000
  Te  Te6       1.0  0.5560176677075916  0.7780118498406445  0.4034083529416518  1.0000
  Te  Te7       1.0  0.5551747862886401  0.777589881863031  0.5931029792707321  1.0000
  Te  Te8       1.0  0.5558230660652709  0.44445718714948784  0.4000329935872283  1.0000
  Te  Te9       1.0  0.8883500898303192  0.776805299223888  0.3999801438522994  1.0000
  Te  Te10      1.0  0.5558567011255836  0.1113853361516985  0.40002981485852174  1.0000
  Te  Te11      1.0  0.5550276079846261  0.44401893045129076  0.5957506704147061  1.0000
  Te  Te12      1.0  0.22196574129815982  0.7771088478448362  0.40010046930615945  1.0000
  Te  Te13      1.0  0.22276844225733272  0.7785611599323725  0.5956748526794218  1.0000
  Te  Te14      1.0  0.22194115922027194  0.44484619045879403  0.4001112189644713  1.0000
  Te  Te15      1.0  0.22277483996710762  0.4441946567746829  0.5956812716131201  1.0000
  Te  Te16      1.0  0.22141367804604833  0.110705556516068  0.40211305366849587  1.0000
  Te  Te17      1.0  0.22218542746609582  0.11107924339405281  0.5919917144219656  1.0000
  Te  Te18      1.0  0.5550196583866818  0.1110206299783155  0.5957658117456507  1.0000
  W   W1        1.0  0.33560270055848196  0.3380052865320965  0.4973498434515557  1.0000
  W   W2        1.0  0.33561890045559667  0.9976018821369401  0.49735304511345324  1.0000
  W   W3        1.0  0.3285835525194583  0.6642994529442215  0.4980827486222116  1.0000
  W   W4        1.0  0.0025444910796363737  0.6716674800318977  0.49807723085280453  1.0000
  W   W5        1.0  0.669051865954066  0.0050280928901268  0.49804597301283976  1.0000
  W   W6        1.0  0.6618145116774959  0.33090491259446003  0.49806192427875984  1.0000
  W   W7        1.0  0.0025322157405389045  0.3308749494851815  0.4980837325952669  1.0000
  W   W8        1.0  0.6690482266198544  0.6640288865881745  0.4980432729508765  1.0000
  W   W9        1.0  0.9947674194098337  0.9973748962642748  0.49730791701421995  1.0000