data_image0
_chemical_formula_structural       CuICuSeI
_chemical_formula_sum              "Cu2 I2 Se1"
_cell_length_a       3.86403738218769
_cell_length_b       3.8611275535537626
_cell_length_c       21.076576535884534
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    113.45523002830096

_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
  Cu  Cu1       1.0  0.8095808453182346  0.553310134099189  0.5716918352221532  1.0000
  I   I1        1.0  0.9255265822162546  0.5580646340848422  0.3558452667695182  1.0000
  Cu  Cu2       1.0  0.20629240749523925  0.15395721775713547  0.42812528185670584  1.0000
  Se  Se1       1.0  0.34369717966681645  0.6897525790192743  0.49989107728485416  1.0000
  I   I2        1.0  0.215325098610452  0.2747382612371473  0.6441547334257444  1.0000