data_[Li4Ti2Cu4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5489]
_cell_length_b [3.5454]
_cell_length_c [6.8868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Ti(CuS2)2]
_chemical_formula_sum '[Li4 Ti2 Cu4 S8]'
_cell_volume [287.8472]
_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  0.1520  0.0000  0.5223  1.0
  Ti  Ti1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1744  0.5000  0.9712  1.0
  S  S3  4  0.0121  0.5000  0.2606  1.0
  S  S4  4  0.2149  0.0000  0.2170  1.0
]