# generated using pymatgen
data_Ti16CuS32
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.15748871
_cell_length_b   23.15748871
_cell_length_c   23.15748808
_cell_angle_alpha   17.35161477
_cell_angle_beta   17.35161477
_cell_angle_gamma   17.35161529
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti16CuS32
_chemical_formula_sum   'Ti16 Cu1 S32'
_cell_volume   963.89091154
_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  0.87247100  0.87247100  0.38245900  1.0
  Ti  Ti1  1  0.12645100  0.62446600  0.62446600  1.0
  Ti  Ti2  1  0.38245900  0.87247100  0.87247100  1.0
  Ti  Ti3  1  0.99844500  0.99844500  0.99844500  1.0
  Ti  Ti4  1  0.75096500  0.75096500  0.75096500  1.0
  Ti  Ti5  1  0.87247100  0.38245900  0.87247100  1.0
  Ti  Ti6  1  0.62446600  0.62446600  0.12645100  1.0
  Ti  Ti7  1  0.62446600  0.12645100  0.62446600  1.0
  Ti  Ti8  1  0.50009800  0.50009800  0.50009800  1.0
  Ti  Ti9  1  0.37528500  0.87425300  0.37528500  1.0
  Ti  Ti10  1  0.37528500  0.37528500  0.87425300  1.0
  Ti  Ti11  1  0.12324000  0.62689200  0.12324000  1.0
  Ti  Ti12  1  0.87425300  0.37528500  0.37528500  1.0
  Ti  Ti13  1  0.62689200  0.12324000  0.12324000  1.0
  Ti  Ti14  1  0.24946600  0.24946600  0.24946600  1.0
  Ti  Ti15  1  0.12324000  0.12324000  0.62689200  1.0
  Cu  Cu16  1  0.34380400  0.34380400  0.34380400  1.0
  S  S17  1  0.18080800  0.70199100  0.18080800  1.0
  S  S18  1  0.70199100  0.18080800  0.18080800  1.0
  S  S19  1  0.68835700  0.68835700  0.68835700  1.0
  S  S20  1  0.05517700  0.56569200  0.56569200  1.0
  S  S21  1  0.56569200  0.56569200  0.05517700  1.0
  S  S22  1  0.56569200  0.05517700  0.56569200  1.0
  S  S23  1  0.18080800  0.18080800  0.70199100  1.0
  S  S24  1  0.93321200  0.93321200  0.44633900  1.0
  S  S25  1  0.44633900  0.93321200  0.93321200  1.0
  S  S26  1  0.19613400  0.68358900  0.68358900  1.0
  S  S27  1  0.81162900  0.81162900  0.81162900  1.0
  S  S28  1  0.06150800  0.06150800  0.06150800  1.0
  S  S29  1  0.43830800  0.43830800  0.43830800  1.0
  S  S30  1  0.31621500  0.31621500  0.80405600  1.0
  S  S31  1  0.31621500  0.80405700  0.31621500  1.0
  S  S32  1  0.06668800  0.55369300  0.06668800  1.0
  S  S33  1  0.93321200  0.44633900  0.93321200  1.0
  S  S34  1  0.68358900  0.19613400  0.68358900  1.0
  S  S35  1  0.68358900  0.68358900  0.19613400  1.0
  S  S36  1  0.56168900  0.56168900  0.56168900  1.0
  S  S37  1  0.18836400  0.18836400  0.18836400  1.0
  S  S38  1  0.80405700  0.31621500  0.31621500  1.0
  S  S39  1  0.55369300  0.06668800  0.06668800  1.0
  S  S40  1  0.93807100  0.93807100  0.93807100  1.0
  S  S41  1  0.81656700  0.81656700  0.30378800  1.0
  S  S42  1  0.06668800  0.06668800  0.55369300  1.0
  S  S43  1  0.43392100  0.94617000  0.43392100  1.0
  S  S44  1  0.43392100  0.43392100  0.94617000  1.0
  S  S45  1  0.94617000  0.43392100  0.43392100  1.0
  S  S46  1  0.31130300  0.31130300  0.31130300  1.0
  S  S47  1  0.30378800  0.81656700  0.81656700  1.0
  S  S48  1  0.81656700  0.30378800  0.81656700  1.0