data_image0
_chemical_formula_structural       CuSeCuSe
_chemical_formula_sum              "Cu2 Se2"
_cell_length_a       3.5241795457473355
_cell_length_b       5.183124045284982
_cell_length_c       17.50876424
_cell_angle_alpha    90.0
_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
  Cu  Cu1       1.0  0.0  0.9999763520998284  0.5000052436596176  1.0000
  Se  Se1       1.0  0.0  0.34798642367835325  0.579116299757772  1.0000
  Cu  Cu2       1.0  0.5000000020221252  0.49992329478534225  0.4999916002067316  1.0000
  Se  Se2       1.0  0.0  0.6518999912945784  0.4208884607152606  1.0000