# generated using pymatgen
data_Ti(CuS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40855088
_cell_length_b   5.40855096
_cell_length_c   6.51468449
_cell_angle_alpha   114.52590113
_cell_angle_beta   114.52590327
_cell_angle_gamma   89.99999617
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti(CuS)4
_chemical_formula_sum   'Ti1 Cu4 S4'
_cell_volume   154.27680446
_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  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu3  1  0.25811444  0.25811444  0.51623089  1.0
  Cu  Cu4  1  0.74188556  0.74188556  0.48376911  1.0
  S  S5  1  0.88106251  0.88106251  0.25091006  1.0
  S  S6  1  0.63015245  0.11893749  0.74908994  1.0
  S  S7  1  0.11893749  0.63015245  0.74908994  1.0
  S  S8  1  0.36984755  0.36984755  0.25091006  1.0