data_[Li2In4Cu2S8]
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
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.9658]
_cell_length_b [6.9179]
_cell_length_c [6.5395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LiIn2CuS4]
_chemical_formula_sum '[Li2 In4 Cu2 S8]'
_cell_volume [360.3672]
_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  0.0000  0.1642  0.9996  1.0
  In  In1  4  0.2492  0.3334  0.5001  1.0
  Cu  Cu2  2  0.0000  0.8295  0.5012  1.0
  S  S3  4  0.2419  0.6778  0.3837  1.0
  S  S4  2  0.0000  0.1454  0.3757  1.0
  S  S5  2  0.0000  0.8375  0.8559  1.0
]