data_[Nd16Y2Th4]
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 [9.1670]
_cell_length_b [16.6383]
_cell_length_c [6.0788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8YTh2]
_chemical_formula_sum '[Nd16 Y2 Th4]'
_cell_volume [768.7729]
_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  0.2175  0.1180  0.1809  1
  Nd  Nd1  4  0.0000  0.2066  0.5000  1
  Nd  Nd2  4  0.0777  0.5000  0.2941  1
  Y  Y3  2  0.0000  0.0000  0.5000  1
  Th  Th4  4  0.0000  0.3083  0.0000  1
]