data_[Li8Pr12Tl16]
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
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9666]
_cell_length_b [10.9652]
_cell_length_c [8.5840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2Pr3Tl4]
_chemical_formula_sum '[Li8 Pr12 Tl16]'
_cell_volume [1003.7731]
_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
[
  Li  Li0  8  0.0871  0.3855  0.4007  1.0
  Pr  Pr1  8  0.1473  0.1318  0.1470  1.0
  Pr  Pr2  4  0.0000  0.3230  0.7500  1.0
  Tl  Tl3  8  0.1502  0.1533  0.5405  1.0
  Tl  Tl4  8  0.1765  0.4282  0.1125  1.0
]