data_[Nd6Th4Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Th  1.3000  1.8000  1.0800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.5405]
_cell_length_b [8.4877]
_cell_length_c [8.2249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd3(ThSn2)2]
_chemical_formula_sum '[Nd6 Th4 Sn8]'
_cell_volume [553.3790]
_cell_formula_units_Z [2]
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  0.2418  0.1691  0.7277  1
  Nd  Nd1  2  0.5000  0.0000  0.5000  1
  Th  Th2  4  0.1965  0.6813  0.5615  1
  Sn  Sn3  4  0.0808  0.0337  0.3243  1
  Sn  Sn4  4  0.4890  0.6315  0.3698  1
]