data_[Pr4Y10Th4]
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 [22.6623]
_cell_length_b [3.5057]
_cell_length_c [8.1949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Y5Th2]
_chemical_formula_sum '[Pr4 Y10 Th4]'
_cell_volume [641.6818]
_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  4  0.1743  0.0000  0.1488  1
  Y  Y1  4  0.0899  0.0000  0.7268  1
  Y  Y2  4  0.1921  0.5000  0.5461  1
  Y  Y3  2  0.0000  0.0000  0.0000  1
  Th  Th4  4  0.0517  0.5000  0.3536  1
]