# generated using pymatgen
data_Ca12Pd3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64764838
_cell_length_b   7.80491716
_cell_length_c   9.82119404
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.87308716
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca12Pd3Au
_chemical_formula_sum   'Ca12 Pd3 Au1'
_cell_volume   509.56496879
_cell_formula_units_Z   1
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  0.66018210  0.16781470  0.43530424  1.0
  Ca  Ca1  1  0.16317277  0.33025453  0.56740810  1.0
  Ca  Ca2  1  0.83652317  0.67434866  0.06341740  1.0
  Ca  Ca3  1  0.33572247  0.82901534  0.93190195  1.0
  Ca  Ca4  1  0.14308920  0.03446732  0.25000000  1.0
  Ca  Ca5  1  0.64144593  0.45774893  0.75000000  1.0
  Ca  Ca6  1  0.36381877  0.54454631  0.25000000  1.0
  Ca  Ca7  1  0.85928811  0.95945778  0.75000000  1.0
  Ca  Ca8  1  0.66018210  0.16781470  0.06469576  1.0
  Ca  Ca9  1  0.16317277  0.33025453  0.93259190  1.0
  Ca  Ca10  1  0.83652317  0.67434866  0.43658260  1.0
  Ca  Ca11  1  0.33572247  0.82901534  0.56809805  1.0
  Pd  Pd12  1  0.04705112  0.62192286  0.75000000  1.0
  Pd  Pd13  1  0.55329858  0.87855268  0.25000000  1.0
  Pd  Pd14  1  0.45186797  0.12165147  0.75000000  1.0
  Au  Au15  1  0.94894032  0.37878520  0.25000000  1.0