data_[Cs4Bi8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3797]
_cell_length_b [4.3655]
_cell_length_c [9.4254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsBi2Pd3]
_chemical_formula_sum '[Cs4 Bi8 Pd12]'
_cell_volume [666.4639]
_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  0.1557  0.0000  0.0516  1.0
  Bi  Bi1  4  0.0284  0.5000  0.2147  1.0
  Bi  Bi2  4  0.1839  0.0000  0.6468  1.0
  Pd  Pd3  4  0.0429  0.0000  0.3968  1.0
  Pd  Pd4  4  0.0757  0.5000  0.6257  1.0
  Pd  Pd5  4  0.1825  0.5000  0.4527  1.0
]