data_[Pr12Th4Te24]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.4358]
_cell_length_b [15.2029]
_cell_length_c [7.7737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr3ThTe6]
_chemical_formula_sum '[Pr12 Th4 Te24]'
_cell_volume [1469.6990]
_cell_formula_units_Z [4]
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  8  0.1835  0.0986  0.5120  1
  Pr  Pr1  4  0.0000  0.4068  0.6306  1
  Th  Th2  4  0.0000  0.1651  0.0002  1
  Te  Te3  8  0.1637  0.4616  0.3247  1
  Te  Te4  8  0.1696  0.2648  0.7960  1
  Te  Te5  4  0.0000  0.0047  0.7494  1
  Te  Te6  4  0.0000  0.2338  0.3690  1
]