data_[Li3Nd3Sn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.7921]
_cell_length_b [4.7921]
_cell_length_c [11.4358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [LiNdSn]
_chemical_formula_sum '[Li3 Nd3 Sn3]'
_cell_volume [227.4343]
_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
[
  Li  Li0  2  0.6667  0.3333  0.8099  1.0
  Li  Li1  1  0.3333  0.6667  0.5000  1.0
  Nd  Nd2  2  0.0000  0.0000  0.3356  1.0
  Nd  Nd3  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn4  2  0.3333  0.6667  0.1713  1.0
  Sn  Sn5  1  0.6667  0.3333  0.5000  1.0
]