data_image0
_chemical_formula_structural       CuSe2
_chemical_formula_sum              "Cu1 Se2"
_cell_length_a       3.3898579515657823
_cell_length_b       3.3898579515657823
_cell_length_c       18.063044883155506
_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
  Cu  Cu1       1.0  9.397778011286725e-20  2.6449257175429413e-39  0.499999999912653  1.0000
  Se  Se1       1.0  0.6666666678382255  0.333333333188377  0.5838348057161947  1.0000
  Se  Se2       1.0  0.33333333318837705  0.666666666376754  0.4161651941091113  1.0000