data_[Nd10Bi8Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.2694]
_cell_length_b [10.2694]
_cell_length_c [6.4938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Nd5Bi4Sb]
_chemical_formula_sum '[Nd10 Bi8 Sb2]'
_cell_volume [684.8444]
_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
[
  Nd  Nd0  8  0.0992  0.7036  0.0000  1
  Nd  Nd1  2  0.0000  0.0000  0.5000  1
  Bi  Bi2  8  0.0989  0.6994  0.5000  1
  Sb  Sb3  2  0.0000  0.0000  0.0000  1
]