data_[Li2Tl2Sb2]
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 [P1]
_cell_length_a [3.3076]
_cell_length_b [4.8698]
_cell_length_c [10.7135]
_cell_angle_alpha [87.2525]
_cell_angle_beta [83.2950]
_cell_angle_gamma [71.2187]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiTlSb]
_chemical_formula_sum '[Li2 Tl2 Sb2]'
_cell_volume [162.2541]
_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  0.1002  0.5801  0.9694  1.0
  Li  Li1  1  0.7797  0.1008  0.1092  1.0
  Tl  Tl2  1  0.2045  0.5925  0.6550  1.0
  Tl  Tl3  1  0.6600  0.0834  0.4113  1.0
  Sb  Sb4  1  0.4541  0.6494  0.2131  1.0
  Sb  Sb5  1  0.8553  0.1444  0.8436  1.0
]