data_[Li10Si2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7133]
_cell_length_b [9.7463]
_cell_length_c [7.7093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5SiTe6]
_chemical_formula_sum '[Li10 Si2 Te12]'
_cell_volume [571.2341]
_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  0.0000  0.1583  0.5000  1
  Li  Li1  4  0.0000  0.3377  0.0000  1
  Li  Li2  2  0.0000  0.5000  0.5000  1
  Si  Si3  2  0.0000  0.0000  0.0000  1
  Te  Te4  8  0.2446  0.1565  0.2451  1
  Te  Te5  4  0.2389  0.0000  0.7605  1
]