# generated using pymatgen
data_CaAl3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16700666
_cell_length_b   4.16700767
_cell_length_c   6.50325103
_cell_angle_alpha   71.22534505
_cell_angle_beta   71.22534513
_cell_angle_gamma   90.09656241
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAl3Au
_chemical_formula_sum   'Ca1 Al3 Au1'
_cell_volume   100.52460749
_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
  Ca  Ca0  1  0.00209426  0.00209426  0.99580620  1.0
  Al  Al1  1  0.74665984  0.24757580  0.50574220  1.0
  Al  Al2  1  0.24757580  0.74665984  0.50574220  1.0
  Al  Al3  1  0.39255798  0.39255798  0.21515472  1.0
  Au  Au4  1  0.61111212  0.61111212  0.77755568  1.0