# generated using pymatgen
data_CaGaAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19367942
_cell_length_b   9.19358456
_cell_length_c   9.19355357
_cell_angle_alpha   89.99964078
_cell_angle_beta   90.00072392
_cell_angle_gamma   89.99886314
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGaAu3
_chemical_formula_sum   'Ca8 Ga8 Au24'
_cell_volume   777.06552545
_cell_formula_units_Z   8
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  0.39127371  0.39127454  0.39127650  1.0
  Ca  Ca1  1  0.60873155  0.89126018  0.10873488  1.0
  Ca  Ca2  1  0.10873584  0.89126344  0.39126694  1.0
  Ca  Ca3  1  0.60872736  0.60872525  0.60872350  1.0
  Ca  Ca4  1  0.89126373  0.39127012  0.10873713  1.0
  Ca  Ca5  1  0.39126804  0.10873972  0.89126471  1.0
  Ca  Ca6  1  0.10873616  0.60872989  0.89126203  1.0
  Ca  Ca7  1  0.89126474  0.10873607  0.60873295  1.0
  Ga  Ga8  1  0.88666593  0.61335905  0.38663956  1.0
  Ga  Ga9  1  0.61335694  0.38663634  0.88666466  1.0
  Ga  Ga10  1  0.88666127  0.88665237  0.88664805  1.0
  Ga  Ga11  1  0.38664212  0.61336444  0.11333388  1.0
  Ga  Ga12  1  0.11333927  0.11334763  0.11335118  1.0
  Ga  Ga13  1  0.38664462  0.88666642  0.61335616  1.0
  Ga  Ga14  1  0.61335802  0.11333441  0.38664620  1.0
  Ga  Ga15  1  0.11333316  0.38664057  0.61336050  1.0
  Au  Au16  1  0.57479958  0.26271450  0.13519061  1.0
  Au  Au17  1  0.07481450  0.23728033  0.86483604  1.0
  Au  Au18  1  0.26271404  0.13519701  0.57479752  1.0
  Au  Au19  1  0.63517947  0.57480253  0.23729530  1.0
  Au  Au20  1  0.57479920  0.23729167  0.63517338  1.0
  Au  Au21  1  0.26272356  0.36480854  0.07480763  1.0
  Au  Au22  1  0.36482280  0.42519687  0.76270487  1.0
  Au  Au23  1  0.23727662  0.86483417  0.07481169  1.0
  Au  Au24  1  0.23729309  0.63517595  0.57480019  1.0
  Au  Au25  1  0.76272413  0.13516678  0.92518835  1.0
  Au  Au26  1  0.73727669  0.63518700  0.92518720  1.0
  Au  Au27  1  0.73728194  0.86481812  0.42520245  1.0
  Au  Au28  1  0.36480943  0.07479463  0.26271244  1.0
  Au  Au29  1  0.42520092  0.73728214  0.86482305  1.0
  Au  Au30  1  0.92520630  0.73728739  0.63519152  1.0
  Au  Au31  1  0.63519163  0.92520517  0.73728679  1.0
  Au  Au32  1  0.86481180  0.42520009  0.73728478  1.0
  Au  Au33  1  0.42519887  0.76270510  0.36482169  1.0
  Au  Au34  1  0.92518569  0.76271990  0.13516379  1.0
  Au  Au35  1  0.07479435  0.26271287  0.36480853  1.0
  Au  Au36  1  0.76270330  0.36481883  0.42519874  1.0
  Au  Au37  1  0.13518880  0.57479956  0.26271525  1.0
  Au  Au38  1  0.86479451  0.07482303  0.23730317  1.0
  Au  Au39  1  0.13520633  0.92517738  0.76269616  1.0