# generated using pymatgen
data_Ti4PbS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86546650
_cell_length_b   6.86546592
_cell_length_c   9.28049521
_cell_angle_alpha   56.93780194
_cell_angle_beta   56.93780558
_cell_angle_gamma   60.07020357
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4PbS8
_chemical_formula_sum   'Ti4 Pb1 S8'
_cell_volume   294.35178455
_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  0.75758761  0.24241239  1.00000000  1.0
  Ti  Ti1  1  0.24241239  0.75758761  0.00000000  1.0
  Ti  Ti2  1  0.24325010  0.24325010  0.00827333  1.0
  Ti  Ti3  1  0.75674990  0.75674990  0.99172667  1.0
  Pb  Pb4  1  0.50000000  0.50000000  0.50000000  1.0
  S  S5  1  0.98447091  0.48636964  0.19922527  1.0
  S  S6  1  0.48636964  0.98447091  0.19922527  1.0
  S  S7  1  0.48874815  0.48874815  0.19224445  1.0
  S  S8  1  0.98347664  0.98347664  0.20111773  1.0
  S  S9  1  0.01652336  0.01652336  0.79888227  1.0
  S  S10  1  0.51125185  0.51125185  0.80775555  1.0
  S  S11  1  0.51363036  0.01552909  0.80077473  1.0
  S  S12  1  0.01552909  0.51363036  0.80077473  1.0