# generated using pymatgen
data_Ti5(CuS5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89017900
_cell_length_b   6.81301233
_cell_length_c   8.33014538
_cell_angle_alpha   107.63223091
_cell_angle_beta   110.62273566
_cell_angle_gamma   90.19715033
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5(CuS5)2
_chemical_formula_sum   'Ti5 Cu2 S10'
_cell_volume   295.88659732
_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  0.60364000  0.19961000  0.19952500  1.0
  Ti  Ti1  1  0.20073100  0.39893300  0.40325600  1.0
  Ti  Ti2  1  0.39636000  0.80039000  0.80047500  1.0
  Ti  Ti3  1  0.79926900  0.60106700  0.59674400  1.0
  Ti  Ti4  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu5  1  0.89498600  0.29225200  0.79119900  1.0
  Cu  Cu6  1  0.10501400  0.70774800  0.20880100  1.0
  S  S7  1  0.18251100  0.45242500  0.69997900  1.0
  S  S8  1  0.38314800  0.85364300  0.09942800  1.0
  S  S9  1  0.58145200  0.25187000  0.49671100  1.0
  S  S10  1  0.77955200  0.65066900  0.89844400  1.0
  S  S11  1  0.98301200  0.05211300  0.30030400  1.0
  S  S12  1  0.01698800  0.94788700  0.69969600  1.0
  S  S13  1  0.22044800  0.34933100  0.10155600  1.0
  S  S14  1  0.41854800  0.74813000  0.50328900  1.0
  S  S15  1  0.61685200  0.14635700  0.90057200  1.0
  S  S16  1  0.81748900  0.54757500  0.30002100  1.0