data_[Pr2Y24Th10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [6.2444]
_cell_length_b [10.8119]
_cell_length_c [17.4352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrY12Th5]
_chemical_formula_sum '[Pr2 Y24 Th10]'
_cell_volume [1168.7441]
_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
[
  Pr  Pr0  2  0.0000  0.0000  0.0000  1
  Y  Y1  8  0.1126  0.3333  0.3360  1
  Y  Y2  8  0.2240  0.1692  0.1645  1
  Y  Y3  4  0.1125  0.0000  0.3349  1
  Y  Y4  4  0.2164  0.5000  0.1645  1
  Th  Th5  4  0.0000  0.1664  0.5000  1
  Th  Th6  4  0.0000  0.3334  0.0000  1
  Th  Th7  2  0.0000  0.5000  0.5000  1
]