# generated using pymatgen
data_TiTlPS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76725864
_cell_length_b   7.12507077
_cell_length_c   9.82685487
_cell_angle_alpha   111.15035208
_cell_angle_beta   100.55542855
_cell_angle_gamma   90.13700990
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlPS5
_chemical_formula_sum   'Ti2 Tl2 P2 S10'
_cell_volume   433.21355384
_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  0.49999900  0.27631300  0.00006100  1.0
  Ti  Ti1  1  0.50000100  0.72368700  0.99993900  1.0
  Tl  Tl2  1  0.72209600  0.71377300  0.42795400  1.0
  Tl  Tl3  1  0.27790400  0.28622700  0.57204600  1.0
  P  P4  1  0.28054200  0.86832800  0.73639100  1.0
  P  P5  1  0.71945800  0.13167200  0.26360900  1.0
  S  S6  1  0.17405400  0.68195600  0.83098000  1.0
  S  S7  1  0.34730700  0.56094600  0.12307500  1.0
  S  S8  1  0.41319300  0.08280500  0.16682700  1.0
  S  S9  1  0.58680700  0.91719500  0.83317300  1.0
  S  S10  1  0.17403500  0.14833100  0.83109000  1.0
  S  S11  1  0.77714200  0.24189200  0.48503000  1.0
  S  S12  1  0.65269300  0.43905400  0.87692500  1.0
  S  S13  1  0.22285800  0.75810800  0.51497000  1.0
  S  S14  1  0.82596500  0.85166900  0.16891000  1.0
  S  S15  1  0.82594600  0.31804400  0.16902000  1.0