# generated using pymatgen
data_Ca5Au4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71959369
_cell_length_b   8.06022237
_cell_length_c   8.04944097
_cell_angle_alpha   90.00000000
_cell_angle_beta   109.18246155
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Au4
_chemical_formula_sum   'Ca10 Au8'
_cell_volume   473.04076583
_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  0.06855707  0.32107179  0.69171989  1.0
  Ca  Ca1  1  0.56855707  0.17892821  0.69171989  1.0
  Ca  Ca2  1  0.43144293  0.82107179  0.30828011  1.0
  Ca  Ca3  1  0.25261930  0.32908606  0.25663593  1.0
  Ca  Ca4  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Ca  Ca5  1  0.93144293  0.67892821  0.30828011  1.0
  Ca  Ca6  1  0.24738070  0.82908606  0.74336407  1.0
  Ca  Ca7  1  0.75261930  0.17091394  0.25663593  1.0
  Ca  Ca8  1  0.74738070  0.67091394  0.74336407  1.0
  Ca  Ca9  1  0.50000000  0.50000000  -0.00000000  1.0
  Au  Au10  1  0.62907392  0.86944727  0.01254151  1.0
  Au  Au11  1  0.85604802  0.96708023  0.58049659  1.0
  Au  Au12  1  0.37092608  0.13055273  0.98745849  1.0
  Au  Au13  1  0.35604802  0.53291977  0.58049659  1.0
  Au  Au14  1  0.87092608  0.36944727  0.98745849  1.0
  Au  Au15  1  0.64395198  0.46708023  0.41950341  1.0
  Au  Au16  1  0.14395198  0.03291977  0.41950341  1.0
  Au  Au17  1  0.12907392  0.63055273  0.01254151  1.0