data_[Nd12Al4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3248]
_cell_length_b [4.2350]
_cell_length_c [8.7895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1885]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3AlSb]
_chemical_formula_sum '[Nd12 Al4 Sb4]'
_cell_volume [606.0438]
_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  0.0455  0.0000  0.1933  1.0
  Nd  Nd1  4  0.0947  0.5000  0.5606  1.0
  Nd  Nd2  4  0.2395  0.0000  0.8133  1.0
  Al  Al3  4  0.2117  0.0000  0.4331  1.0
  Sb  Sb4  4  0.1070  0.5000  0.9311  1.0
]