data_[Nd20Y12Th8]
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/c]
_cell_length_a [11.0536]
_cell_length_b [14.8712]
_cell_length_c [10.0231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd5Y3Th2]
_chemical_formula_sum '[Nd20 Y12 Th8]'
_cell_volume [1374.7399]
_cell_formula_units_Z [4]
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  0.2482  0.1275  0.7498  1
  Nd  Nd1  4  0.0000  0.0242  0.2500  1
  Nd  Nd2  4  0.0000  0.2772  0.7500  1
  Nd  Nd3  4  0.0000  0.4852  0.7500  1
  Y  Y4  8  0.1496  0.1256  0.0529  1
  Y  Y5  4  0.0000  0.2319  0.2500  1
  Th  Th6  8  0.1545  0.3748  0.5570  1
]