# generated using pymatgen
data_Ca6IrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62772184
_cell_length_b   7.81103312
_cell_length_c   9.53672965
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6IrAu
_chemical_formula_sum   'Ca12 Ir2 Au2'
_cell_volume   493.71034060
_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  0.65372629  0.15617920  0.43203705  1.0
  Ca  Ca1  1  0.15372629  0.34382080  0.56796295  1.0
  Ca  Ca2  1  0.83511307  0.68184591  0.06297220  1.0
  Ca  Ca3  1  0.33511307  0.81815409  0.93702780  1.0
  Ca  Ca4  1  0.15311471  0.03545208  0.25000000  1.0
  Ca  Ca5  1  0.65311471  0.46454792  0.75000000  1.0
  Ca  Ca6  1  0.37441969  0.54329484  0.25000000  1.0
  Ca  Ca7  1  0.87441969  0.95670516  0.75000000  1.0
  Ca  Ca8  1  0.65372629  0.15617920  0.06796295  1.0
  Ca  Ca9  1  0.15372629  0.34382080  0.93203705  1.0
  Ca  Ca10  1  0.83511307  0.68184591  0.43702780  1.0
  Ca  Ca11  1  0.33511307  0.81815409  0.56297220  1.0
  Ir  Ir12  1  0.04466857  0.62846750  0.75000000  1.0
  Ir  Ir13  1  0.54466857  0.87153250  0.25000000  1.0
  Au  Au14  1  0.45011731  0.12119820  0.75000000  1.0
  Au  Au15  1  0.95011731  0.37880180  0.25000000  1.0