# generated using pymatgen
data_CrAuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01611137
_cell_length_b   3.01611137
_cell_length_c   12.22951187
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001384
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAuO2
_chemical_formula_sum   'Cr2 Au2 O4'
_cell_volume   96.34616710
_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
  Cr  Cr0  1  -0.00000000  0.00000000  -0.00000000  1.0
  Cr  Cr1  1  -0.00000000  0.00000000  0.50000000  1.0
  Au  Au2  1  0.33333300  0.66666700  0.25000000  1.0
  Au  Au3  1  0.66666700  0.33333300  0.75000000  1.0
  O  O4  1  0.66666700  0.33333300  0.58005152  1.0
  O  O5  1  0.66666700  0.33333300  0.91994848  1.0
  O  O6  1  0.33333300  0.66666700  0.41994848  1.0
  O  O7  1  0.33333300  0.66666700  0.08005152  1.0