data_[Li1Tl2Sb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.3232]
_cell_length_b [4.7178]
_cell_length_c [7.2885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8471]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiTl2Sb]
_chemical_formula_sum '[Li1 Tl2 Sb1]'
_cell_volume [114.2126]
_cell_formula_units_Z [1]
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  0.3743  0.0000  0.4018  1.0
  Tl  Tl1  1  0.3808  0.5000  0.7375  1.0
  Tl  Tl2  1  0.8860  0.0000  0.0180  1.0
  Sb  Sb3  1  0.8589  0.5000  0.3428  1.0
]