data_[Ba4Bi8Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.7972]
_cell_length_b [4.7972]
_cell_length_c [22.5177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba4Bi8Pd3]
_chemical_formula_sum '[Ba4 Bi8 Pd3]'
_cell_volume [518.2050]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  2  0.0000  0.5000  0.1217  1
  Ba  Ba1  2  0.0000  0.5000  0.6249  1
  Bi  Bi2  2  0.0000  0.0000  0.2473  1
  Bi  Bi3  2  0.0000  0.5000  0.4384  1
  Bi  Bi4  2  0.0000  0.5000  0.9470  1
  Bi  Bi5  2  0.5000  0.5000  0.2510  1
  Pd  Pd6  1  0.0000  0.0000  0.0000  1
  Pd  Pd7  1  0.0000  0.0000  0.5000  1
  Pd  Pd8  1  0.5000  0.5000  0.5000  1
]