data_[Cu2Ag4Se4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3130]
_cell_length_b [5.3236]
_cell_length_c [8.0990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.7002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuAg2(SeO3)2]
_chemical_formula_sum '[Cu2 Ag4 Se4 O12]'
_cell_volume [369.7935]
_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  0.0000  0.5000  1.0
  Ag  Ag1  4  0.1235  0.5000  0.2951  1.0
  Se  Se2  4  0.2349  0.5000  0.8052  1.0
  O  O3  8  0.1667  0.2485  0.6196  1.0
  O  O4  4  0.1295  0.5000  0.8848  1.0
]