data_[Li4Tl12In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8529]
_cell_length_b [3.4088]
_cell_length_c [10.8608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3314]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Tl6In]
_chemical_formula_sum '[Li4 Tl12 In2]'
_cell_volume [492.8380]
_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  4  0.1287  0.5000  0.2488  1.0
  Tl  Tl1  4  0.0360  0.0000  0.7111  1.0
  Tl  Tl2  4  0.1672  0.5000  0.5501  1.0
  Tl  Tl3  4  0.2358  0.0000  0.1151  1.0
  In  In4  2  0.0000  0.0000  0.0000  1.0
]