data_[Ba4Bi4Pd4]
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 [P2_1/c]
_cell_length_a [7.0518]
_cell_length_b [7.2547]
_cell_length_c [8.5086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4832]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaBiPd]
_chemical_formula_sum '[Ba4 Bi4 Pd4]'
_cell_volume [382.6009]
_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  0.2176  0.6534  0.3955  1
  Bi  Bi1  4  0.2425  0.1680  0.5513  1
  Pd  Pd2  4  0.4213  0.0815  0.3238  1
]