# generated using pymatgen
data_Cu12As4S13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78276646
_cell_length_b   8.78275188
_cell_length_c   8.78275026
_cell_angle_alpha   109.46848394
_cell_angle_beta   109.46863492
_cell_angle_gamma   109.46882505
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu12As4S13
_chemical_formula_sum   'Cu12 As4 S13'
_cell_volume   521.56921727
_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
  Cu  Cu0  1  0.24998398  0.49999287  0.74999066  1.0
  Cu  Cu1  1  0.50000155  0.75002263  0.24999105  1.0
  Cu  Cu2  1  0.50001512  0.25002733  0.74998601  1.0
  Cu  Cu3  1  0.75003271  0.25001472  0.50002190  1.0
  Cu  Cu4  1  0.25001976  0.74999624  0.50002941  1.0
  Cu  Cu5  1  0.74999702  0.49999175  0.25002920  1.0
  Cu  Cu6  1  0.22198880  -0.00000317  0.22199428  1.0
  Cu  Cu7  1  -0.00001160  0.77798729  0.77800547  1.0
  Cu  Cu8  1  -0.00000583  0.22199077  0.22198218  1.0
  Cu  Cu9  1  0.77798891  0.77800339  0.99999639  1.0
  Cu  Cu10  1  0.22199150  0.22198786  0.99998582  1.0
  Cu  Cu11  1  0.77799409  -0.00001870  0.77798415  1.0
  As  As12  1  -0.00002471  -0.00006533  0.52723365  1.0
  As  As13  1  0.52725054  0.99999242  -0.00003242  1.0
  As  As14  1  -0.00001507  0.52726450  0.00001962  1.0
  As  As15  1  0.47273586  0.47275627  0.47272852  1.0
  S  S16  1  0.75975561  0.75974728  0.24003332  1.0
  S  S17  1  0.48029336  0.24024347  -0.00000065  1.0
  S  S18  1  0.24023362  0.48029783  0.00001558  1.0
  S  S19  1  0.51972939  0.75997264  0.51971607  1.0
  S  S20  1  0.48029924  0.00002175  0.24023325  1.0
  S  S21  1  0.00000782  0.48028923  0.24025805  1.0
  S  S22  1  0.75995161  0.51972281  0.51972728  1.0
  S  S23  1  0.24004655  0.75977286  0.75977560  1.0
  S  S24  1  0.75977798  0.24006145  0.75978508  1.0
  S  S25  1  0.24024635  0.99999885  0.48028792  1.0
  S  S26  1  0.00000900  0.24021189  0.48028804  1.0
  S  S27  1  0.51971205  0.51972373  0.75993844  1.0
  S  S28  1  -0.00000519  -0.00000564  -0.00000487  1.0