# generated using pymatgen
data_Ti8Cu3S16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98950625
_cell_length_b   8.98950625
_cell_length_c   5.89882137
_cell_angle_alpha   89.98673478
_cell_angle_beta   89.98673478
_cell_angle_gamma   98.63180286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti8Cu3S16
_chemical_formula_sum   'Ti8 Cu3 S16'
_cell_volume   471.29156730
_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  0.25247500  0.25247500  0.99335600  1.0
  Ti  Ti1  1  0.37139100  0.12027900  0.50008100  1.0
  Ti  Ti2  1  0.50000000  0.00000000  0.00000000  1.0
  Ti  Ti3  1  0.62860900  0.87972100  0.49991900  1.0
  Ti  Ti4  1  0.74752500  0.74752500  0.00664400  1.0
  Ti  Ti5  1  0.87972100  0.62860900  0.49991900  1.0
  Ti  Ti6  1  0.00000000  0.50000000  0.00000000  1.0
  Ti  Ti7  1  0.12027900  0.37139100  0.50008100  1.0
  Cu  Cu8  1  0.37093000  0.62907000  0.50000000  1.0
  Cu  Cu9  1  0.62907000  0.37093000  0.50000000  1.0
  Cu  Cu10  1  0.00000000  0.00000000  0.00000000  1.0
  S  S11  1  0.25198600  0.00151600  0.16505800  1.0
  S  S12  1  0.37684700  0.87615900  0.66798500  1.0
  S  S13  1  0.50124100  0.75246500  0.16741000  1.0
  S  S14  1  0.37328600  0.37328600  0.33128800  1.0
  S  S15  1  0.62671400  0.62671400  0.66871200  1.0
  S  S16  1  0.49875900  0.24753500  0.83259000  1.0
  S  S17  1  0.75246500  0.50124100  0.16741000  1.0
  S  S18  1  0.62315300  0.12384100  0.33201500  1.0
  S  S19  1  0.87615900  0.37684700  0.66798500  1.0
  S  S20  1  0.00151600  0.25198600  0.16505800  1.0
  S  S21  1  0.74801400  0.99848400  0.83494200  1.0
  S  S22  1  0.87554900  0.87554900  0.33634200  1.0
  S  S23  1  0.12445100  0.12445100  0.66365800  1.0
  S  S24  1  0.99848400  0.74801400  0.83494200  1.0
  S  S25  1  0.12384100  0.62315300  0.33201500  1.0
  S  S26  1  0.24753500  0.49875900  0.83259000  1.0