data_[Li2In2Te6]
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 [P-1]
_cell_length_a [7.1387]
_cell_length_b [7.6509]
_cell_length_c [8.0994]
_cell_angle_alpha [79.4710]
_cell_angle_beta [64.3860]
_cell_angle_gamma [67.7917]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiInTe3]
_chemical_formula_sum '[Li2 In2 Te6]'
_cell_volume [369.2066]
_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  2  0.1338  0.5114  0.2234  1.0
  In  In1  2  0.3977  0.8199  0.4968  1.0
  Te  Te2  2  0.1566  0.6458  0.8234  1.0
  Te  Te3  2  0.1940  0.2209  0.4980  1.0
  Te  Te4  2  0.4791  0.6602  0.1689  1.0
]