data_image0
_chemical_formula_structural       In12Se18
_chemical_formula_sum              "In12 Se18"
_cell_length_a       7.285024180937836
_cell_length_b       7.2822554610695995
_cell_length_c       19.265491156071107
_cell_angle_alpha    90.01757528398171
_cell_angle_beta     89.99111465213764
_cell_angle_gamma    120.03667631887359

_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
  In  In1       1.0  0.6702439967  0.978576654  0.1420115377  1.0000
  In  In2       1.0  0.33276297909999997  0.3164438117  0.1631340011  1.0000
  In  In3       1.0  0.6958978312999999  0.6702692039999999  0.3057275995  1.0000
  In  In4       1.0  0.017361853700000048  0.3339157833000001  0.3297878631  1.0000
  In  In5       1.0  0.020372771699999993  0.6912354334  0.4756660581  1.0000
  In  In6       1.0  0.681271219  0.0143290409  0.49570989600000004  1.0000
  In  In7       1.0  0.3296372901  0.020334601200000003  0.6422930853  1.0000
  In  In8       1.0  0.6670009569  0.6837375446999999  0.6631307118  1.0000
  In  In9       1.0  0.30439172859999997  0.33003269980000005  0.8056339124  1.0000
  In  In10      1.0  0.9834165763  0.6668670639  0.8299254043  1.0000
  In  In11      1.0  0.9796153182  0.3087023426  0.9756628972000001  1.0000
  In  In12      1.0  0.31726769  0.9855221418  0.9966188362000001  1.0000
  Se  Se1       1.0  0.010450093599999967  0.35742099299999996  0.12585354490000003  1.0000
  Se  Se2       1.0  0.2865416707  0.9430898249  0.1348959024  1.0000
  Se  Se3       1.0  0.7152656138  0.643941868  0.1566108686  1.0000
  Se  Se4       1.0  0.6541221733  0.009985198800000001  0.2922446442  1.0000
  Se  Se5       1.0  0.3442259214  0.28782657200000006  0.301288026  1.0000
  Se  Se6       1.0  0.07271876100000002  0.7156077491  0.3235935117  1.0000
  Se  Se7       1.0  0.6425382747000001  0.6515383362000001  0.4582786198  1.0000
  Se  Se8       1.0  0.05558851310000004  0.34306999200000005  0.4680930347999999  1.0000
  Se  Se9       1.0  0.3554240297  0.0704008176  0.4903669612  1.0000
  Se  Se10      1.0  0.9890947204000001  0.6421153159000001  0.6258545060999999  1.0000
  Se  Se11      1.0  0.7137710184  0.0566237512  0.634192434  1.0000
  Se  Se12      1.0  0.2848973481  0.3557181932  0.6566305095  1.0000
  Se  Se13      1.0  0.3468971073  0.9906520945  0.7922641891  1.0000
  Se  Se14      1.0  0.6560230297  0.7127039858  0.801382315  1.0000
  Se  Se15      1.0  0.9276004082  0.2847822477  0.8236316123  1.0000
  Se  Se16      1.0  0.35736886430000003  0.34793745670000004  0.9584656705000001  1.0000
  Se  Se17      1.0  0.9441996962  0.6568389227  0.9681675317999999  1.0000
  Se  Se18      1.0  0.6440385865  0.9297782043000001  0.9903835468  1.0000