data_[Nd16Ga8Sn8]
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 [Fmmm]
_cell_length_a [8.6641]
_cell_length_b [9.8813]
_cell_length_c [9.9939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Nd2GaSn]
_chemical_formula_sum '[Nd16 Ga8 Sn8]'
_cell_volume [855.6067]
_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  0.2032  0.0000  0.5000  1.0
  Nd  Nd1  8  0.2500  0.2500  0.2500  1.0
  Ga  Ga2  8  0.0000  0.2166  0.0000  1.0
  Sn  Sn3  8  0.0000  0.0000  0.2080  1.0
]