# generated using pymatgen
data_AsPtS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01847800
_cell_length_b   6.01847800
_cell_length_c   6.01847800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPtS
_chemical_formula_sum   'As4 Pt4 S4'
_cell_volume   218.00177617
_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
  As  As0  1  0.11465300  0.88534700  0.38534700  1.0
  As  As1  1  0.88534700  0.38534700  0.11465300  1.0
  As  As2  1  0.38534700  0.11465300  0.88534700  1.0
  As  As3  1  0.61465300  0.61465300  0.61465300  1.0
  Pt  Pt4  1  0.50156100  0.49843900  0.99843900  1.0
  Pt  Pt5  1  0.49843900  0.99843900  0.50156100  1.0
  Pt  Pt6  1  0.99843900  0.50156100  0.49843900  1.0
  Pt  Pt7  1  0.00156100  0.00156100  0.00156100  1.0
  S  S8  1  0.89058700  0.10941300  0.60941300  1.0
  S  S9  1  0.10941300  0.60941300  0.89058700  1.0
  S  S10  1  0.60941300  0.89058700  0.10941300  1.0
  S  S11  1  0.39058700  0.39058700  0.39058700  1.0