data_[Cs4Bi12Pd4]
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 [P2_1/c]
_cell_length_a [9.7514]
_cell_length_b [7.8664]
_cell_length_c [10.1184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsBi3Pd]
_chemical_formula_sum '[Cs4 Bi12 Pd4]'
_cell_volume [724.4001]
_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  0.3710  0.0880  0.7802  1.0
  Bi  Bi1  4  0.0367  0.1115  0.3626  1.0
  Bi  Bi2  4  0.1819  0.0181  0.0798  1.0
  Bi  Bi3  4  0.3062  0.6152  0.8978  1.0
  Pd  Pd4  4  0.0396  0.7497  0.4114  1.0
]