data_[Li6Pr4Th2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [C2/m]
_cell_length_a [7.6757]
_cell_length_b [13.2920]
_cell_length_c [7.5919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Pr2ThTe6]
_chemical_formula_sum '[Li6 Pr4 Th2 Te12]'
_cell_volume [729.1581]
_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
[
  Li  Li0  4  0.0000  0.1681  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Pr  Pr2  4  0.0000  0.3333  0.0000  1
  Th  Th3  2  0.0000  0.0000  0.0000  1
  Te  Te4  8  0.2470  0.3361  0.7328  1
  Te  Te5  4  0.2392  0.0000  0.7343  1
]