data_[Nd8Th6Sc2]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.0352]
_cell_length_b [10.1101]
_cell_length_c [10.2518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Nd4Th3Sc]
_chemical_formula_sum '[Nd8 Th6 Sc2]'
_cell_volume [521.8815]
_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  0.0000  0.2533  0.1368  1
  Nd  Nd1  2  0.0000  0.0000  0.8637  1
  Nd  Nd2  2  0.0000  0.5000  0.8627  1
  Th  Th3  4  0.0000  0.2508  0.6161  1
  Th  Th4  2  0.0000  0.0000  0.3843  1
  Sc  Sc5  2  0.0000  0.5000  0.3857  1
]