data_[Nd16Bi8Sb8]
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 [C2/c]
_cell_length_a [9.1401]
_cell_length_b [18.2491]
_cell_length_c [7.9108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd2BiSb]
_chemical_formula_sum '[Nd16 Bi8 Sb8]'
_cell_volume [1077.2595]
_cell_formula_units_Z [8]
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  0.2424  0.0625  0.2456  1
  Nd  Nd1  8  0.2479  0.1875  0.7457  1
  Bi  Bi2  4  0.0000  0.3133  0.7500  1
  Bi  Bi3  4  0.0000  0.4384  0.2500  1
  Sb  Sb4  4  0.0000  0.0633  0.7500  1
  Sb  Sb5  4  0.0000  0.1883  0.2500  1
]