data_[Li2Pr6Tl2]
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 [Pm]
_cell_length_a [6.2739]
_cell_length_b [5.5005]
_cell_length_c [9.4371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiPr3Tl]
_chemical_formula_sum '[Li2 Pr6 Tl2]'
_cell_volume [307.9704]
_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  1  0.4994  0.5000  0.3538  1
  Li  Li1  1  0.5347  0.0000  0.5396  1
  Pr  Pr2  1  0.1008  0.5000  0.5341  1
  Pr  Pr3  1  0.2343  0.0000  0.1758  1
  Pr  Pr4  1  0.2626  0.5000  0.9323  1
  Pr  Pr5  1  0.5876  0.0000  0.9223  1
  Pr  Pr6  1  0.7088  0.5000  0.7470  1
  Pr  Pr7  1  0.8467  0.5000  0.1607  1
  Tl  Tl8  1  0.0153  0.0000  0.7535  1
  Tl  Tl9  1  0.7896  0.0000  0.3376  1
]