data_[Pr6Sm4Th2Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5159]
_cell_length_b [4.4812]
_cell_length_c [9.0138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Sm2ThTe6]
_chemical_formula_sum '[Pr6 Sm4 Th2 Te12]'
_cell_volume [769.2044]
_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  0.1647  0.0000  0.8343  1
  Pr  Pr1  2  0.0000  0.5000  0.5000  1
  Sm  Sm2  4  0.1654  0.0000  0.3311  1
  Th  Th3  2  0.0000  0.5000  0.0000  1
  Te  Te4  4  0.0019  0.0000  0.2501  1
  Te  Te5  4  0.1672  0.5000  0.0887  1
  Te  Te6  4  0.1691  0.5000  0.5797  1
]