# generated using pymatgen
data_Ca2AlGa6Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16740972
_cell_length_b   4.20343259
_cell_length_c   11.19935776
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AlGa6Au
_chemical_formula_sum   'Ca2 Al1 Ga6 Au1'
_cell_volume   196.18391893
_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  0.00000000  0.00000000  0.99574903  1.0
  Ca  Ca1  1  0.50000000  0.50000000  0.50203847  1.0
  Al  Al2  1  0.00000000  0.50000000  0.24932527  1.0
  Ga  Ga3  1  0.50000000  0.00000000  0.74880562  1.0
  Ga  Ga4  1  0.50000000  0.00000000  0.25285174  1.0
  Ga  Ga5  1  0.00000000  0.50000000  0.74789812  1.0
  Ga  Ga6  1  0.00000000  0.00000000  0.61135098  1.0
  Ga  Ga7  1  0.00000000  0.00000000  0.39186974  1.0
  Ga  Ga8  1  0.50000000  0.50000000  0.88744821  1.0
  Au  Au9  1  0.50000000  0.50000000  0.11266384  1.0