data_[Nd6Bi2Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.7969]
_cell_length_b [8.7969]
_cell_length_c [4.1699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Nd6Bi2Pd]
_chemical_formula_sum '[Nd6 Bi2 Pd1]'
_cell_volume [279.4597]
_cell_formula_units_Z [1]
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
[
  Nd  Nd0  3  0.0000  0.2450  0.5000  1.0
  Nd  Nd1  3  0.0000  0.5929  0.0000  1.0
  Bi  Bi2  2  0.3333  0.6667  0.5000  1.0
  Pd  Pd3  1  0.0000  0.0000  0.0000  1.0
]