# generated using pymatgen
data_Ti4CuS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01378629
_cell_length_b   7.01378610
_cell_length_c   7.01378588
_cell_angle_alpha   59.99999632
_cell_angle_beta   59.99999723
_cell_angle_gamma   59.99999453
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4CuS8
_chemical_formula_sum   'Ti4 Cu1 S8'
_cell_volume   243.97341915
_cell_formula_units_Z   1
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
  Ti  Ti0  1  0.12154020  0.12154020  0.12154020  1.0
  Ti  Ti1  1  0.12154020  0.63537939  0.12154020  1.0
  Ti  Ti2  1  0.63537939  0.12154020  0.12154020  1.0
  Ti  Ti3  1  0.12154020  0.12154020  0.63537939  1.0
  Cu  Cu4  1  0.50000000  0.50000000  0.50000000  1.0
  S  S5  1  0.36978342  0.89064974  0.36978342  1.0
  S  S6  1  0.36978342  0.36978342  0.89064974  1.0
  S  S7  1  0.89064974  0.36978342  0.36978342  1.0
  S  S8  1  0.87836002  0.87836002  0.87836002  1.0
  S  S9  1  0.36978342  0.36978342  0.36978342  1.0
  S  S10  1  0.87836002  0.36491794  0.87836002  1.0
  S  S11  1  0.36491794  0.87836002  0.87836002  1.0
  S  S12  1  0.87836002  0.87836002  0.36491794  1.0