# generated using pymatgen
data_Ca5Pd2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.06799636
_cell_length_b   9.06799676
_cell_length_c   9.06799622
_cell_angle_alpha   129.91096666
_cell_angle_beta   129.91096793
_cell_angle_gamma   73.54913851
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Pd2Au
_chemical_formula_sum   'Ca10 Pd4 Au2'
_cell_volume   428.12174072
_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  0.47003065  0.97003065  0.15902295  1.0
  Ca  Ca1  1  0.18899230  0.68899230  0.15902295  1.0
  Ca  Ca2  1  0.52996935  0.02996935  0.84097705  1.0
  Ca  Ca3  1  0.02996935  0.18899230  0.50000000  1.0
  Ca  Ca4  1  0.68899230  0.52996935  0.50000000  1.0
  Ca  Ca5  1  0.97003065  0.81100770  0.50000000  1.0
  Ca  Ca6  1  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca7  1  0.50000000  0.50000000  0.00000000  1.0
  Ca  Ca8  1  0.81100770  0.31100770  0.84097705  1.0
  Ca  Ca9  1  0.31100770  0.47003065  0.50000000  1.0
  Pd  Pd10  1  0.12587124  0.62587124  0.75174148  1.0
  Pd  Pd11  1  0.62587124  0.87412876  0.50000000  1.0
  Pd  Pd12  1  0.37412876  0.12587124  0.50000000  1.0
  Pd  Pd13  1  0.87412876  0.37412876  0.24825852  1.0
  Au  Au14  1  0.75000000  0.75000000  0.00000000  1.0
  Au  Au15  1  0.25000000  0.25000000  0.00000000  1.0