data_[Nd24Y10Th4]
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 [18.2365]
_cell_length_b [9.1469]
_cell_length_c [8.6524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8488]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd12Y5Th2]
_chemical_formula_sum '[Nd24 Y10 Th4]'
_cell_volume [1348.7858]
_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  8  0.1444  0.1870  0.8824  1
  Nd  Nd1  8  0.1479  0.2320  0.4600  1
  Nd  Nd2  4  0.0329  0.5000  0.6998  1
  Nd  Nd3  4  0.0594  0.0000  0.1707  1
  Y  Y4  4  0.1952  0.5000  0.1904  1
  Y  Y5  4  0.2379  0.5000  0.7503  1
  Y  Y6  2  0.0000  0.0000  0.5000  1
  Th  Th7  4  0.0000  0.3281  0.0000  1
]