data_[Ca4Co4Ag4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Co  1.8800  1.3500  0.7683
  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 [9.3411]
_cell_length_b [10.8464]
_cell_length_c [9.9915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaCoAgCl5]
_chemical_formula_sum '[Ca4 Co4 Ag4 Cl20]'
_cell_volume [899.7436]
_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  0.0000  0.0000  1.0
  Co  Co1  4  0.0000  0.3331  0.7500  1.0
  Ag  Ag2  4  0.0000  0.3424  0.2500  1.0
  Cl  Cl3  8  0.1222  0.2167  0.6481  1.0
  Cl  Cl4  8  0.1714  0.4682  0.9242  1.0
  Cl  Cl5  4  0.0000  0.1101  0.2500  1.0
]