# generated using pymatgen
data_CaAlAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50995822
_cell_length_b   7.30609768
_cell_length_c   7.74430358
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAlAu
_chemical_formula_sum   'Ca4 Al4 Au4'
_cell_volume   255.17631533
_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
  Ca  Ca0  1  0.25000000  0.01574867  0.68094621  1.0
  Ca  Ca1  1  0.25000000  0.51574867  0.81905379  1.0
  Ca  Ca2  1  0.75000000  0.98425133  0.31905379  1.0
  Ca  Ca3  1  0.75000000  0.48425133  0.18094621  1.0
  Al  Al4  1  0.75000000  0.84824727  0.93234548  1.0
  Al  Al5  1  0.25000000  0.15175273  0.06765452  1.0
  Al  Al6  1  0.25000000  0.65175273  0.43234548  1.0
  Al  Al7  1  0.75000000  0.34824727  0.56765452  1.0
  Au  Au8  1  0.25000000  0.79205577  0.11522940  1.0
  Au  Au9  1  0.75000000  0.20794423  0.88477060  1.0
  Au  Au10  1  0.75000000  0.70794423  0.61522940  1.0
  Au  Au11  1  0.25000000  0.29205577  0.38477060  1.0