data_[Nd10Th2Si8]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0558]
_cell_length_b [4.4136]
_cell_length_c [7.9684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5ThSi4]
_chemical_formula_sum '[Nd10 Th2 Si8]'
_cell_volume [611.9272]
_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  0.1626  0.0000  0.4271  1
  Nd  Nd1  4  0.1693  0.0000  0.9397  1
  Nd  Nd2  2  0.0000  0.5000  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.0000  1
  Si  Si4  4  0.0050  0.0000  0.7515  1
  Si  Si5  4  0.1855  0.5000  0.2005  1
]