data_[Li6In6Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [4.8718]
_cell_length_b [17.0773]
_cell_length_c [18.5561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [LiInTe]
_chemical_formula_sum '[Li6 In6 Te6]'
_cell_volume [1543.8144]
_cell_formula_units_Z [6]
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  0.0000  0.2992  0.4169  1
  Li  Li1  2  0.0000  0.0000  0.5472  1
  In  In2  4  0.0000  0.3221  0.5836  1
  In  In3  2  0.0000  0.5000  0.4319  1
  Te  Te4  4  0.0000  0.1425  0.4558  1
  Te  Te5  2  0.0000  0.5000  0.6085  1
]