data_[Nd12Bi4Sb4]
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 [Immm]
_cell_length_a [4.4653]
_cell_length_b [6.5210]
_cell_length_c [22.8896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd3BiSb]
_chemical_formula_sum '[Nd12 Bi4 Sb4]'
_cell_volume [666.5029]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.1097  1.0
  Nd  Nd1  4  0.0000  0.0000  0.3086  1.0
  Nd  Nd2  4  0.0000  0.2361  0.5000  1.0
  Bi  Bi3  4  0.0000  0.5000  0.2941  1.0
  Sb  Sb4  4  0.0000  0.5000  0.0873  1.0
]