data_[Nd24Y8Th8]
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 [Cmce]
_cell_length_a [13.2413]
_cell_length_b [13.5986]
_cell_length_c [7.6963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Nd3YTh]
_chemical_formula_sum '[Nd24 Y8 Th8]'
_cell_volume [1385.8182]
_cell_formula_units_Z [8]
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  16  0.1482  0.7292  0.8807  1
  Nd  Nd1  8  0.0000  0.0936  0.3602  1
  Y  Y2  8  0.2500  0.0176  0.2500  1
  Th  Th3  8  0.0000  0.1045  0.9155  1
]