data_[Cu2Ag2Bi4Se8]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.8156]
_cell_length_b [8.1704]
_cell_length_c [6.7465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CuAg(BiSe2)2]
_chemical_formula_sum '[Cu2 Ag2 Bi4 Se8]'
_cell_volume [485.9239]
_cell_formula_units_Z [2]
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  2  0.0000  0.1766  0.0009  1.0
  Ag  Ag1  2  0.0000  0.8269  0.5027  1.0
  Bi  Bi2  4  0.2455  0.6781  0.9816  1.0
  Se  Se3  4  0.2346  0.3083  0.8910  1.0
  Se  Se4  2  0.0000  0.1400  0.3589  1.0
  Se  Se5  2  0.0000  0.8904  0.8922  1.0
]