data_[Cu8Ag4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4254]
_cell_length_b [8.9955]
_cell_length_c [6.1117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2AgSe2]
_chemical_formula_sum '[Cu8 Ag4 Se8]'
_cell_volume [391.6958]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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  Cu0  8  0.1646  0.1562  0.5630  1.0
  Ag  Ag1  4  0.0000  0.3442  0.7500  1.0
  Se  Se2  4  0.0000  0.0486  0.7500  1.0
  Se  Se3  4  0.0000  0.3651  0.2500  1.0
]