data_[Cu6Ag2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7274]
_cell_length_b [7.1609]
_cell_length_c [6.6654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu3AgCl6]
_chemical_formula_sum '[Cu6 Ag2 Cl12]'
_cell_volume [543.8053]
_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  4  0.2500  0.2500  0.5000  1
  Cu  Cu1  2  0.0000  0.5000  0.5000  1
  Ag  Ag2  2  0.0000  0.0000  0.0000  1
  Cl  Cl3  8  0.0498  0.2641  0.3097  1
  Cl  Cl4  4  0.2481  0.5000  0.7345  1
]