# generated using pymatgen
data_Ca3Au4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.17454651
_cell_length_b   8.17454643
_cell_length_c   8.17454672
_cell_angle_alpha   114.22879421
_cell_angle_beta   114.22880095
_cell_angle_gamma   114.22879654
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Au4
_chemical_formula_sum   'Ca6 Au8'
_cell_volume   326.16820265
_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  0.59981119  0.97098084  0.71677915  1.0
  Ca  Ca1  1  0.97098084  0.71677915  0.59981119  1.0
  Ca  Ca2  1  0.71677915  0.59981119  0.97098084  1.0
  Ca  Ca3  1  0.40018881  0.02901916  0.28322085  1.0
  Ca  Ca4  1  0.02901916  0.28322085  0.40018881  1.0
  Ca  Ca5  1  0.28322085  0.40018881  0.02901916  1.0
  Au  Au6  1  0.94532494  0.44329467  0.77859868  1.0
  Au  Au7  1  0.77859868  0.94532494  0.44329467  1.0
  Au  Au8  1  0.44329467  0.77859868  0.94532494  1.0
  Au  Au9  1  0.22140132  0.05467506  0.55670533  1.0
  Au  Au10  1  0.05467506  0.55670533  0.22140132  1.0
  Au  Au11  1  0.55670533  0.22140132  0.05467506  1.0
  Au  Au12  1  0.50000000  0.50000000  0.50000000  1.0
  Au  Au13  1  0.00000000  -0.00000000  0.00000000  1.0