data_[Li2Pr16Tl4]
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/m]
_cell_length_a [18.6888]
_cell_length_b [5.4694]
_cell_length_c [7.1851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7315]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(Pr4Tl)2]
_chemical_formula_sum '[Li2 Pr16 Tl4]'
_cell_volume [725.9144]
_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  2  0.0000  0.5000  0.0000  1.0
  Pr  Pr1  4  0.0264  0.0000  0.7474  1.0
  Pr  Pr2  4  0.0921  0.5000  0.4512  1.0
  Pr  Pr3  4  0.1579  0.5000  0.9448  1.0
  Pr  Pr4  4  0.1873  0.0000  0.2790  1.0
  Tl  Tl5  4  0.2035  0.0000  0.7310  1.0
]