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 [P-1]
_cell_length_a [5.0492]
_cell_length_b [5.1948]
_cell_length_c [6.7992]
_cell_angle_alpha [76.8703]
_cell_angle_beta [72.7443]
_cell_angle_gamma [78.7107]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiTlSb]
_chemical_formula_sum '[Li2 Tl2 Sb2]'
_cell_volume [164.2710]
_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  0.2778  0.8294  0.0240  1.0
  Tl  Tl1  2  0.2430  0.2130  0.3803  1.0
  Sb  Sb2  2  0.2290  0.3937  0.8308  1.0
]