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 [Cm]
_cell_length_a [15.7357]
_cell_length_b [3.4130]
_cell_length_c [5.8163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiTlSn]
_chemical_formula_sum '[Li4 Tl4 Sn4]'
_cell_volume [297.4175]
_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  2  0.1552  0.5000  0.0386  1.0
  Li  Li1  2  0.4829  0.0000  0.5075  1.0
  Tl  Tl2  2  0.1435  0.0000  0.5365  1.0
  Tl  Tl3  2  0.3207  0.0000  0.0332  1.0
  Sn  Sn4  2  0.3238  0.5000  0.5249  1.0
  Sn  Sn5  2  0.4939  0.5000  0.9857  1.0
]