data_[Cs4Ba4Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6422]
_cell_length_b [23.5455]
_cell_length_c [7.6264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsBaPb3]
_chemical_formula_sum '[Cs4 Ba4 Pb12]'
_cell_volume [833.5965]
_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
[
  Cs  Cs0  4  0.0000  0.0069  0.7500  1
  Ba  Ba1  4  0.0000  0.2058  0.7500  1
  Pb  Pb2  8  0.0000  0.3830  0.5407  1
  Pb  Pb3  4  0.0000  0.1817  0.2500  1
]