data_[Ca4Cu8Ag4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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/c]
_cell_length_a [12.6486]
_cell_length_b [11.8365]
_cell_length_c [6.7777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaCu2AgCl6]
_chemical_formula_sum '[Ca4 Cu8 Ag4 Cl24]'
_cell_volume [990.9058]
_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
[
  Ca  Ca0  4  0.0000  0.1005  0.2500  1.0
  Cu  Cu1  8  0.1807  0.4222  0.2880  1.0
  Ag  Ag2  4  0.0000  0.2827  0.7500  1.0
  Cl  Cl3  8  0.1205  0.0782  0.6365  1.0
  Cl  Cl4  8  0.1215  0.2617  0.1104  1.0
  Cl  Cl5  8  0.1413  0.4199  0.5988  1.0
]