data_[Nd8Y14Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2520]
_cell_length_b [5.9903]
_cell_length_c [12.9340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1700]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4Y7Th]
_chemical_formula_sum '[Nd8 Y14 Th2]'
_cell_volume [836.8209]
_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  0.1412  0.5000  0.7772  1
  Nd  Nd1  4  0.2253  0.0000  0.6667  1
  Y  Y2  4  0.0671  0.0000  0.3133  1
  Y  Y3  4  0.1319  0.5000  0.4954  1
  Y  Y4  4  0.2127  0.0000  0.9232  1
  Y  Y5  2  0.0000  0.5000  0.0000  1
  Th  Th6  2  0.0000  0.0000  0.0000  1
]