# generated using pymatgen
data_Ca3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80979443
_cell_length_b   7.78140711
_cell_length_c   9.97863126
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Au
_chemical_formula_sum   'Ca12 Au4'
_cell_volume   528.76550306
_cell_formula_units_Z   4
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  0.14406022  0.03750733  0.25000000  1.0
  Ca  Ca1  1  0.64406022  0.46249267  0.75000000  1.0
  Ca  Ca2  1  0.35593978  0.53750733  0.25000000  1.0
  Ca  Ca3  1  0.85593978  0.96249267  0.75000000  1.0
  Ca  Ca4  1  0.66361236  0.17317119  0.06499067  1.0
  Ca  Ca5  1  0.16361236  0.32682881  0.93500933  1.0
  Ca  Ca6  1  0.83638764  0.67317119  0.43500933  1.0
  Ca  Ca7  1  0.33638764  0.82682881  0.56499067  1.0
  Ca  Ca8  1  0.33638764  0.82682881  0.93500933  1.0
  Ca  Ca9  1  0.83638764  0.67317119  0.06499067  1.0
  Ca  Ca10  1  0.16361236  0.32682881  0.56499067  1.0
  Ca  Ca11  1  0.66361236  0.17317119  0.43500933  1.0
  Au  Au12  1  0.95178134  0.37772504  0.25000000  1.0
  Au  Au13  1  0.45178134  0.12227496  0.75000000  1.0
  Au  Au14  1  0.54821866  0.87772504  0.25000000  1.0
  Au  Au15  1  0.04821866  0.62227496  0.75000000  1.0