data_[Nd4Y12Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3847]
_cell_length_b [4.3979]
_cell_length_c [9.7226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdY3Sb2]
_chemical_formula_sum '[Nd4 Y12 Sb8]'
_cell_volume [719.5224]
_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  0.1106  0.0000  0.1206  1
  Y  Y1  4  0.0573  0.0000  0.6779  1
  Y  Y2  4  0.1461  0.5000  0.4776  1
  Y  Y3  4  0.1884  0.5000  0.8928  1
  Sb  Sb4  4  0.0101  0.5000  0.8431  1
  Sb  Sb5  4  0.2459  0.0000  0.7188  1
]