data_[Cs4Sb4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [7.0462]
_cell_length_b [7.1135]
_cell_length_c [9.9720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CsSbPb]
_chemical_formula_sum '[Cs4 Sb4 Pb4]'
_cell_volume [499.8300]
_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  2  0.0000  0.0000  0.7107  1.0
  Cs  Cs1  2  0.0000  0.5000  0.9619  1.0
  Sb  Sb2  4  0.0000  0.2042  0.3193  1.0
  Pb  Pb3  4  0.2314  0.0000  0.0975  1.0
]