data_[Nd8Ga8Sb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.3839]
_cell_length_b [4.3839]
_cell_length_c [45.3187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [NdGaSb2]
_chemical_formula_sum '[Nd8 Ga8 Sb16]'
_cell_volume [870.9509]
_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  0.0000  0.0000  0.1942  1.0
  Ga  Ga1  8  0.1629  0.2500  0.1250  1.0
  Sb  Sb2  8  0.0000  0.0000  0.3292  1.0
  Sb  Sb3  4  0.0000  0.0000  0.0000  1.0
  Sb  Sb4  4  0.0000  0.0000  0.5000  1.0
]