data_[Ba2Bi4Pd4]
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/m]
_cell_length_a [5.0069]
_cell_length_b [4.9303]
_cell_length_c [11.0705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba(BiPd)2]
_chemical_formula_sum '[Ba2 Bi4 Pd4]'
_cell_volume [273.1855]
_cell_formula_units_Z [2]
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  0.2580  0.2500  0.7589  1.0
  Bi  Bi1  2  0.2136  0.2500  0.1186  1.0
  Bi  Bi2  2  0.2488  0.7500  0.5009  1.0
  Pd  Pd3  2  0.2467  0.2500  0.3734  1.0
  Pd  Pd4  2  0.3037  0.7500  0.0008  1.0
]