data_[Li6Tl1Si1]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.1263]
_cell_length_b [5.1461]
_cell_length_c [5.1574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8309]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li6TlSi]
_chemical_formula_sum '[Li6 Tl1 Si1]'
_cell_volume [135.0861]
_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  2  0.0000  0.2370  0.5000  1.0
  Li  Li1  2  0.2348  0.5000  0.9733  1.0
  Li  Li2  2  0.4907  0.0000  0.7647  1.0
  Tl  Tl3  1  0.5000  0.5000  0.5000  1.0
  Si  Si4  1  0.0000  0.0000  0.0000  1.0
]