data_[Pr10Sm10Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2922]
_cell_length_b [5.9945]
_cell_length_c [9.6637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5Sm5Th2]
_chemical_formula_sum '[Pr10 Sm10 Th4]'
_cell_volume [829.1183]
_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  0.0862  0.0000  0.4303  1
  Pr  Pr1  4  0.2397  0.5000  0.7247  1
  Pr  Pr2  2  0.0000  0.0000  0.0000  1
  Sm  Sm3  4  0.0851  0.5000  0.8899  1
  Sm  Sm4  4  0.1565  0.5000  0.2981  1
  Sm  Sm5  2  0.0000  0.5000  0.5000  1
  Th  Th6  4  0.1787  0.0000  0.8630  1
]