data_[Nd24Ga8Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [12.1368]
_cell_length_b [11.4020]
_cell_length_c [8.8986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Nd3GaSn]
_chemical_formula_sum '[Nd24 Ga8 Sn8]'
_cell_volume [1231.4138]
_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  16  0.1541  0.1459  0.4163  1
  Nd  Nd1  8  0.0000  0.0713  0.8347  1
  Ga  Ga2  8  0.0000  0.2057  0.1397  1
  Sn  Sn3  8  0.2500  0.1033  0.7500  1
]