# generated using pymatgen
data_Ti2CuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63686251
_cell_length_b   6.63686251
_cell_length_c   7.04732002
_cell_angle_alpha   75.80194088
_cell_angle_beta   75.80194088
_cell_angle_gamma   118.58098623
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CuS4
_chemical_formula_sum   'Ti4 Cu2 S8'
_cell_volume   239.09451496
_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
  Ti  Ti0  1  0.49395800  0.74780000  0.51627100  1.0
  Ti  Ti1  1  0.25298400  0.00418500  0.00207200  1.0
  Ti  Ti2  1  0.00418500  0.25298400  0.50207200  1.0
  Ti  Ti3  1  0.74780000  0.49395800  0.01627100  1.0
  Cu  Cu4  1  0.72809800  0.48444600  0.47491700  1.0
  Cu  Cu5  1  0.48444600  0.72809800  0.97491700  1.0
  S  S6  1  0.20422200  0.72313400  0.82802200  1.0
  S  S7  1  0.72313400  0.20422200  0.32802200  1.0
  S  S8  1  0.70829800  0.21370200  0.83699700  1.0
  S  S9  1  0.21370200  0.70829800  0.33699700  1.0
  S  S10  1  0.80039000  0.79490400  0.66446200  1.0
  S  S11  1  0.29861000  0.28400800  0.17872600  1.0
  S  S12  1  0.28400800  0.29861000  0.67872600  1.0
  S  S13  1  0.79490400  0.80039000  0.16446200  1.0