# generated using pymatgen
data_CuAuSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46649712
_cell_length_b   7.45210934
_cell_length_c   8.12729426
_cell_angle_alpha   90.00000000
_cell_angle_beta   93.64163956
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAuSe4
_chemical_formula_sum   'Cu2 Au2 Se8'
_cell_volume   269.96934982
_cell_formula_units_Z   2
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  0.03669655  0.75000000  0.66124777  1.0
  Cu  Cu1  1  0.96330345  0.25000000  0.33875223  1.0
  Au  Au2  1  0.50000000  0.50000000  0.00000000  1.0
  Au  Au3  1  0.50000000  0.00000000  0.00000000  1.0
  Se  Se4  1  0.39913061  0.99905966  0.69452993  1.0
  Se  Se5  1  0.60086939  0.49905966  0.30547007  1.0
  Se  Se6  1  0.60086939  0.00094034  0.30547007  1.0
  Se  Se7  1  0.39913061  0.50094034  0.69452993  1.0
  Se  Se8  1  0.06952081  0.25000000  0.63194440  1.0
  Se  Se9  1  0.93047919  0.75000000  0.36805560  1.0
  Se  Se10  1  0.15141574  0.25000000  0.06646579  1.0
  Se  Se11  1  0.84858426  0.75000000  0.93353421  1.0