# generated using pymatgen
data_Ti2CuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05441962
_cell_length_b   7.05441527
_cell_length_c   7.05441657
_cell_angle_alpha   60.00095880
_cell_angle_beta   60.00094475
_cell_angle_gamma   60.00096156
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CuS4
_chemical_formula_sum   'Ti4 Cu2 S8'
_cell_volume   248.24346145
_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  0.50000000  0.00000000  0.50000000  1.0
  Ti  Ti1  1  -0.00000000  0.50000000  0.50000000  1.0
  Ti  Ti2  1  0.50000000  0.50000000  -0.00000000  1.0
  Ti  Ti3  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu4  1  0.87499982  0.87499946  0.87499950  1.0
  Cu  Cu5  1  0.12500018  0.12500054  0.12500050  1.0
  S  S6  1  0.74539993  0.74539967  0.74539958  1.0
  S  S7  1  0.25459914  0.25459957  0.73620200  1.0
  S  S8  1  0.25459962  0.73620172  0.25459966  1.0
  S  S9  1  0.73620103  0.25459958  0.25459962  1.0
  S  S10  1  0.74540038  0.26379828  0.74540034  1.0
  S  S11  1  0.26379897  0.74540042  0.74540038  1.0
  S  S12  1  0.25460007  0.25460033  0.25460042  1.0
  S  S13  1  0.74540086  0.74540043  0.26379800  1.0