# generated using pymatgen
data_Sr(TiS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20831820
_cell_length_b   8.20831860
_cell_length_c   8.20831913
_cell_angle_alpha   49.71036345
_cell_angle_beta   49.71036169
_cell_angle_gamma   49.71035929
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr(TiS2)4
_chemical_formula_sum   'Sr1 Ti4 S8'
_cell_volume   295.93493258
_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
  Sr  Sr0  1  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti1  1  0.00000000  0.50000000  0.50000000  1.0
  Ti  Ti2  1  0.50000000  0.00000000  0.50000000  1.0
  Ti  Ti3  1  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti4  1  0.00000000  0.00000000  0.00000000  1.0
  S  S5  1  0.26374006  0.76869644  0.76869644  1.0
  S  S6  1  0.23130356  0.23130356  0.73625994  1.0
  S  S7  1  0.73625994  0.23130356  0.23130356  1.0
  S  S8  1  0.23130356  0.73625994  0.23130356  1.0
  S  S9  1  0.26832199  0.26832199  0.26832199  1.0
  S  S10  1  0.73167801  0.73167801  0.73167801  1.0
  S  S11  1  0.76869644  0.26374006  0.76869644  1.0
  S  S12  1  0.76869644  0.76869644  0.26374006  1.0