data_[Pm4Pr6Th2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7247]
_cell_length_b [4.0703]
_cell_length_c [8.1515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm2Pr3ThS6]
_chemical_formula_sum '[Pm4 Pr6 Th2 S12]'
_cell_volume [572.2027]
_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
[
  Pm  Pm0  4  0.1661  0.0000  0.3318  1
  Pr  Pr1  4  0.1663  0.0000  0.8341  1
  Pr  Pr2  2  0.0000  0.5000  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.0000  1
  S  S4  4  0.0013  0.0000  0.2478  1
  S  S5  4  0.1658  0.5000  0.0873  1
  S  S6  4  0.1688  0.5000  0.5797  1
]