data_image0
_chemical_formula_structural       Cu6Se5
_chemical_formula_sum              "Cu6 Se5"
_cell_length_a       6.833119008959673
_cell_length_b       6.833119006597648
_cell_length_c       18.57162902
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000001143478

_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  0.5516041378845893  0.0  0.4528731093509642  1.0000
  Cu  Cu2       1.0  2.724439109637696e-10  0.5515981879989422  0.4528735390386342  1.0000
  Cu  Cu3       1.0  0.44840715159016237  0.448407091776218  0.45287400911048353  1.0000
  Cu  Cu4       1.0  0.33333333085170386  0.6666666704841709  0.5349817691975414  1.0000
  Cu  Cu5       1.0  0.6666666702844906  0.3333333301725095  0.5349817691975414  1.0000
  Cu  Cu6       1.0  4.95834034353019e-20  0.0  0.5672745168802645  1.0000
  Se  Se1       1.0  0.6611502322843068  0.0  0.5777616615346326  1.0000
  Se  Se2       1.0  3.2262546621476773e-10  0.6611553316260614  0.5777608113130402  1.0000
  Se  Se3       1.0  0.3388392080511236  0.33883970760556864  0.5777599912449684  1.0000
  Se  Se4       1.0  0.33333333085170386  0.6666666704841709  0.3854318876546243  1.0000
  Se  Se5       1.0  0.6666666702844906  0.3333333301725095  0.3854318876546243  1.0000