data_[Ba2Bi6Pd2]
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 [Pmn2_1]
_cell_length_a [7.1764]
_cell_length_b [6.5817]
_cell_length_c [6.7488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [BaBi3Pd]
_chemical_formula_sum '[Ba2 Bi6 Pd2]'
_cell_volume [318.7653]
_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  0.0000  0.8404  0.5757  1.0
  Bi  Bi1  4  0.2414  0.6728  0.0351  1.0
  Bi  Bi2  2  0.0000  0.1054  0.1352  1.0
  Pd  Pd3  2  0.0000  0.3909  0.8402  1.0
]