# generated using pymatgen
data_PaTeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.30211677
_cell_length_b   7.78421297
_cell_length_c   9.02468362
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PaTeS
_chemical_formula_sum   'Pa4 Te4 S4'
_cell_volume   302.22395764
_cell_formula_units_Z   4
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
  Pa  Pa0  1  0.25000000  0.21079879  0.87435647  1.0
  Pa  Pa1  1  0.75000000  0.78920121  0.12564353  1.0
  Pa  Pa2  1  0.25000000  0.71079879  0.62564353  1.0
  Pa  Pa3  1  0.75000000  0.28920121  0.37435647  1.0
  Te  Te4  1  0.25000000  0.97224879  0.34055607  1.0
  Te  Te5  1  0.75000000  0.52775121  0.84055607  1.0
  Te  Te6  1  0.25000000  0.47224879  0.15944393  1.0
  Te  Te7  1  0.75000000  0.02775121  0.65944393  1.0
  S  S8  1  0.75000000  0.14398656  0.07075086  1.0
  S  S9  1  0.25000000  0.35601344  0.57075086  1.0
  S  S10  1  0.75000000  0.64398656  0.42924914  1.0
  S  S11  1  0.25000000  0.85601344  0.92924914  1.0