data_[Nd1Sb1H1Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.5660]
_cell_length_b [4.5660]
_cell_length_c [4.1760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [NdSbHPd]
_chemical_formula_sum '[Nd1 Sb1 H1 Pd1]'
_cell_volume [75.3976]
_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  1  0.3333  0.6667  0.6923  1.0
  Sb  Sb1  1  0.6667  0.3333  0.2168  1.0
  Pd  Pd2  1  0.0000  0.0000  0.1344  1.0
  H  H3  1  0.0000  0.0000  0.7173  1.0
]