data_[Li8Pr8Tl4]
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 [11.0635]
_cell_length_b [6.7865]
_cell_length_c [7.7951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2Pr2Tl]
_chemical_formula_sum '[Li8 Pr8 Tl4]'
_cell_volume [544.7333]
_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  0.0693  0.1309  0.4416  1.0
  Pr  Pr1  8  0.1932  0.4217  0.1546  1.0
  Tl  Tl2  4  0.0000  0.2429  0.7500  1.0
]