data_[Li4Zn4In8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.0802]
_cell_length_b [8.9809]
_cell_length_c [10.5465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [LiZn(InS2)2]
_chemical_formula_sum '[Li4 Zn4 In8 S16]'
_cell_volume [765.3335]
_cell_formula_units_Z [4]
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  0.0000  0.5044  1
  Zn  Zn1  4  0.0000  0.0000  0.0025  1
  In  In2  8  0.2500  0.2500  0.2606  1
  S  S3  8  0.0000  0.2369  0.1083  1
  S  S4  8  0.2437  0.0000  0.8778  1
]