data_[Na2Bi4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [6.0677]
_cell_length_b [4.7900]
_cell_length_c [7.8716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Na(BiPd)2]
_chemical_formula_sum '[Na2 Bi4 Pd4]'
_cell_volume [228.7804]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1
  Bi  Bi1  2  0.2500  0.0000  0.6098  1
  Bi  Bi2  2  0.2500  0.5000  0.1909  1
  Pd  Pd3  2  0.0000  0.5000  0.5000  1
  Pd  Pd4  2  0.2500  0.5000  0.8178  1
]