data_[Ba8Bi8Pd4]
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 [C2/m]
_cell_length_a [12.5790]
_cell_length_b [5.0577]
_cell_length_c [12.5475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6888]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Bi2Pd]
_chemical_formula_sum '[Ba8 Bi8 Pd4]'
_cell_volume [700.2842]
_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
[
  Ba  Ba0  4  0.0072  0.0000  0.3391  1.0
  Ba  Ba1  4  0.1873  0.0000  0.1191  1.0
  Bi  Bi2  4  0.0083  0.5000  0.8715  1.0
  Bi  Bi3  4  0.1622  0.5000  0.5536  1.0
  Pd  Pd4  4  0.2219  0.5000  0.3507  1.0
]