data_[Li4Tl4Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8622]
_cell_length_b [3.8156]
_cell_length_c [10.0798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiTlSn]
_chemical_formula_sum '[Li4 Tl4 Sn4]'
_cell_volume [302.3896]
_cell_formula_units_Z [4]
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  4  0.1243  0.7500  0.7556  1.0
  Tl  Tl1  4  0.1208  0.7500  0.4014  1.0
  Sn  Sn2  4  0.1213  0.7500  0.0750  1.0
]