data_[Pr10Th2Sn10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5689]
_cell_length_b [6.4130]
_cell_length_c [8.8321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5ThSn5]
_chemical_formula_sum '[Pr10 Th2 Sn10]'
_cell_volume [787.1057]
_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  0.1676  0.5000  0.3336  1
  Pr  Pr1  4  0.1692  0.5000  0.8372  1
  Pr  Pr2  2  0.0000  0.0000  0.5000  1
  Th  Th3  2  0.0000  0.0000  0.0000  1
  Sn  Sn4  4  0.1635  0.0000  0.8282  1
  Sn  Sn5  4  0.1647  0.0000  0.3342  1
  Sn  Sn6  2  0.0000  0.5000  0.0000  1
]