data_[Li4Cu2Si2S8]
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
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.1303]
_cell_length_b [6.9162]
_cell_length_c [6.2372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2CuSiS4]
_chemical_formula_sum '[Li4 Cu2 Si2 S8]'
_cell_volume [307.5850]
_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  0.2441  0.6710  0.0042  1.0
  Si  Si1  2  0.0000  0.1650  0.0012  1.0
  Cu  Cu2  2  0.0000  0.8494  0.4932  1.0
  S  S3  4  0.2403  0.3287  0.8951  1.0
  S  S4  2  0.0000  0.1518  0.3451  1.0
  S  S5  2  0.0000  0.8825  0.8616  1.0
]