data_[Nd36In18Sn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.5511]
_cell_length_b [14.5511]
_cell_length_c [9.9084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd12In6Sn]
_chemical_formula_sum '[Nd36 In18 Sn3]'
_cell_volume [1816.8668]
_cell_formula_units_Z [3]
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  18  0.0521  0.7926  0.9110  1
  Nd  Nd1  18  0.0557  0.8638  0.2539  1
  In  In2  18  0.0685  0.8319  0.5735  1
  Sn  Sn3  3  0.0000  0.0000  0.0000  1
]