data_[Nd4Ga4Sn4]
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 [Cc]
_cell_length_a [6.3276]
_cell_length_b [6.2982]
_cell_length_c [8.4221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [NdGaSn]
_chemical_formula_sum '[Nd4 Ga4 Sn4]'
_cell_volume [311.2338]
_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  0.1124  0.1110  0.9991  1.0
  Ga  Ga1  4  0.2590  0.4421  0.6651  1.0
  Sn  Sn2  4  0.0022  0.6021  0.8325  1.0
]