# generated using pymatgen
data_Ca2(AlAu2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69621749
_cell_length_b   8.69621723
_cell_length_c   8.69621730
_cell_angle_alpha   57.02943537
_cell_angle_beta   57.02943496
_cell_angle_gamma   57.02943598
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2(AlAu2)3
_chemical_formula_sum   'Ca4 Al6 Au12'
_cell_volume   433.17789406
_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
  Ca  Ca0  1  0.41087167  0.41087167  0.41087167  1.0
  Ca  Ca1  1  0.91087167  0.91087167  0.91087167  1.0
  Ca  Ca2  1  0.58912833  0.58912833  0.58912833  1.0
  Ca  Ca3  1  0.08912833  0.08912833  0.08912833  1.0
  Al  Al4  1  0.05264704  0.25000000  0.44735296  1.0
  Al  Al5  1  0.44735296  0.05264704  0.25000000  1.0
  Al  Al6  1  0.25000000  0.44735296  0.05264704  1.0
  Al  Al7  1  0.94735296  0.75000000  0.55264704  1.0
  Al  Al8  1  0.55264704  0.94735296  0.75000000  1.0
  Al  Al9  1  0.75000000  0.55264704  0.94735296  1.0
  Au  Au10  1  0.97685618  0.36793150  0.70304626  1.0
  Au  Au11  1  0.70304626  0.97685618  0.36793150  1.0
  Au  Au12  1  0.36793150  0.70304626  0.97685618  1.0
  Au  Au13  1  0.20304626  0.86793150  0.47685618  1.0
  Au  Au14  1  0.47685618  0.20304626  0.86793150  1.0
  Au  Au15  1  0.86793150  0.47685618  0.20304626  1.0
  Au  Au16  1  0.02314382  0.63206850  0.29695374  1.0
  Au  Au17  1  0.29695374  0.02314382  0.63206850  1.0
  Au  Au18  1  0.63206850  0.29695374  0.02314382  1.0
  Au  Au19  1  0.79695374  0.13206850  0.52314382  1.0
  Au  Au20  1  0.52314382  0.79695374  0.13206850  1.0
  Au  Au21  1  0.13206850  0.52314382  0.79695374  1.0