data_[Ca4Ag4Pb4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8391]
_cell_length_b [12.1824]
_cell_length_c [9.8574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaAgPbCl5]
_chemical_formula_sum '[Ca4 Ag4 Pb4 Cl20]'
_cell_volume [964.7875]
_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
  Ag  Ag1  4  0.0000  0.3203  0.2500  1.0
  Pb  Pb2  4  0.0000  0.3565  0.7500  1.0
  Cl  Cl3  8  0.1462  0.1905  0.1402  1.0
  Cl  Cl4  8  0.1691  0.4638  0.4507  1.0
  Cl  Cl5  4  0.0000  0.1073  0.7500  1.0
]