data_image0
_chemical_formula_structural       Zr2Be2Cu4Se8
_chemical_formula_sum              "Zr2 Be2 Cu4 Se8"
_cell_length_a       8.003922026306554
_cell_length_b       6.769641068026583
_cell_length_c       6.198936154596641
_cell_angle_alpha    89.99994739823272
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_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
  Zr  Zr1       1.0  0.5000000000000008  0.16283898555444098  0.6768431970437963  1.0000
  Zr  Zr2       1.0  8.167971432344618e-16  0.8371682073943655  0.17684299892208602  1.0000
  Be  Be1       1.0  0.5000000000000009  0.8243848285730919  0.9841167032861764  1.0000
  Be  Be2       1.0  8.256056466592322e-16  0.17561346371238945  0.48411642405062744  1.0000
  Cu  Cu1       1.0  0.7596490882504963  0.6837265011995254  0.4725038624035302  1.0000
  Cu  Cu2       1.0  0.24035091174954093  0.6837265011995254  0.4725038624035302  1.0000
  Cu  Cu3       1.0  0.7403497486221527  0.3162718133792145  0.972503345648826  1.0000
  Cu  Cu4       1.0  0.2596502513778373  0.31627181337921517  0.972503345648826  1.0000
  Se  Se1       1.0  0.5000000000000008  0.14048137484722825  0.09854623905932516  1.0000
  Se  Se2       1.0  8.283939689812325e-16  0.859518346136594  0.5985467246164996  1.0000
  Se  Se3       1.0  0.5000000000000009  0.7938176899106405  0.6234130192976284  1.0000
  Se  Se4       1.0  8.098583701756953e-16  0.20617615370435588  0.12341441004754593  1.0000
  Se  Se5       1.0  0.7257912691318306  0.6592381326980218  0.09329949866769985  1.0000
  Se  Se6       1.0  0.27420873086827796  0.6592381326980226  0.09329949866769995  1.0000
  Se  Se7       1.0  0.7742060903389091  0.3407600268241753  0.5933005981061237  1.0000
  Se  Se8       1.0  0.22579390966108184  0.3407600268241753  0.5933005981061238  1.0000