data_[Cu2Ag2Sb4Se8]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.2428]
_cell_length_b [4.6316]
_cell_length_c [6.9173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1330]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CuAg(SbSe2)2]
_chemical_formula_sum '[Cu2 Ag2 Sb4 Se8]'
_cell_volume [405.4467]
_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  0.4781  0.0000  1.0
  Ag  Ag1  2  0.0000  0.9532  0.5000  1.0
  Sb  Sb2  4  0.2498  0.1115  0.2451  1.0
  Se  Se3  4  0.1196  0.2222  0.8500  1.0
  Se  Se4  4  0.1213  0.7010  0.3087  1.0
]