# generated using pymatgen
data_Ca(GaAu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33445327
_cell_length_b   7.24965448
_cell_length_c   8.68355404
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(GaAu)3
_chemical_formula_sum   'Ca2 Ga6 Au6'
_cell_volume   272.86582425
_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  0.50000000  0.00000000  0.74124667  1.0
  Ca  Ca1  1  0.00000000  0.50000000  0.25875333  1.0
  Ga  Ga2  1  0.00000000  0.30345853  0.89204260  1.0
  Ga  Ga3  1  0.50000000  0.19654147  0.10795740  1.0
  Ga  Ga4  1  0.00000000  0.69654147  0.89204260  1.0
  Ga  Ga5  1  0.00000000  0.00000000  0.38067221  1.0
  Ga  Ga6  1  0.50000000  0.80345853  0.10795740  1.0
  Ga  Ga7  1  0.50000000  0.50000000  0.61932779  1.0
  Au  Au8  1  0.00000000  0.72655152  0.60329312  1.0
  Au  Au9  1  0.50000000  0.77344848  0.39670688  1.0
  Au  Au10  1  0.50000000  0.50000000  0.94618294  1.0
  Au  Au11  1  0.00000000  0.00000000  0.05381706  1.0
  Au  Au12  1  0.50000000  0.22655152  0.39670688  1.0
  Au  Au13  1  0.00000000  0.27344848  0.60329312  1.0