data_[Li6Pr4Th2Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2558]
_cell_length_b [12.5692]
_cell_length_c [6.9982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Pr2ThSe6]
_chemical_formula_sum '[Li6 Pr4 Th2 Se12]'
_cell_volume [598.7931]
_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  0.1665  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Pr  Pr2  4  0.0000  0.3332  0.0000  1
  Th  Th3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2482  0.3369  0.7343  1
  Se  Se5  4  0.2387  0.0000  0.7368  1
]