data_[Li6Sn8Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0717]
_cell_length_b [12.1427]
_cell_length_c [8.4990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.5472]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(SnTe2)4]
_chemical_formula_sum '[Li6 Sn8 Te16]'
_cell_volume [887.8490]
_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  0.2500  0.2500  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Sn  Sn2  4  0.2500  0.2500  0.0000  1
  Sn  Sn3  2  0.0000  0.0000  0.0000  1
  Sn  Sn4  2  0.0000  0.0000  0.5000  1
  Te  Te5  4  0.0000  0.2505  0.0000  1
  Te  Te6  4  0.0000  0.2539  0.5000  1
  Te  Te7  4  0.2405  0.5000  0.9892  1
  Te  Te8  4  0.2435  0.0000  0.4874  1
]