data_[Li8Cu2Sn6S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9419]
_cell_length_b [7.3849]
_cell_length_c [7.4798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6482]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4CuSn3S8]
_chemical_formula_sum '[Li8 Cu2 Sn6 S16]'
_cell_volume [588.1052]
_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  0.0000  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Li  Li2  2  0.0000  0.5000  0.0000  1.0
  Cu  Cu3  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn4  4  0.2500  0.2500  0.5000  1.0
  Sn  Sn5  2  0.0000  0.5000  0.5000  1.0
  S  S6  8  0.0021  0.2385  0.2667  1.0
  S  S7  4  0.2404  0.5000  0.2450  1.0
  S  S8  4  0.2479  0.0000  0.2415  1.0
]