# generated using pymatgen
data_Ba2Cd21Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36002728
_cell_length_b   9.36647298
_cell_length_c   9.36002699
_cell_angle_alpha   99.76274779
_cell_angle_beta   99.75705375
_cell_angle_gamma   131.32953432
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Cd21Au
_chemical_formula_sum   'Ba2 Cd21 Au1'
_cell_volume   561.64953663
_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
  Ba  Ba0  1  0.74883799  0.25081996  0.50198197  1.0
  Ba  Ba1  1  0.50116201  0.49918004  0.99801803  1.0
  Cd  Cd2  1  0.92494501  0.01111398  0.32636164  1.0
  Cd  Cd3  1  0.68016730  0.59686760  0.67295747  1.0
  Cd  Cd4  1  0.24632105  0.74111897  0.49479792  1.0
  Cd  Cd5  1  0.00367895  0.00888103  0.00520208  1.0
  Cd  Cd6  1  0.12500000  0.87500000  0.25000000  1.0
  Cd  Cd7  1  0.12500000  0.87500000  0.75000000  1.0
  Cd  Cd8  1  0.62500000  0.87500000  0.75000000  1.0
  Cd  Cd9  1  0.92390913  0.59686760  0.91670030  1.0
  Cd  Cd10  1  0.85448880  0.43133340  0.17706636  1.0
  Cd  Cd11  1  0.25692794  0.67125980  0.82716213  1.0
  Cd  Cd12  1  0.68475234  0.01111398  0.08616797  1.0
  Cd  Cd13  1  0.40590132  0.07874020  0.08566714  1.0
  Cd  Cd14  1  0.99573297  0.31866660  0.92315440  1.0
  Cd  Cd15  1  0.56983270  0.15313240  0.82704253  1.0
  Cd  Cd16  1  0.32505499  0.73888602  0.17363836  1.0
  Cd  Cd17  1  0.32609087  0.15313240  0.58329970  1.0
  Cd  Cd18  1  0.39551120  0.31866660  0.32293364  1.0
  Cd  Cd19  1  0.99307206  0.07874020  0.67283787  1.0
  Cd  Cd20  1  0.56524766  0.73888602  0.41383203  1.0
  Cd  Cd21  1  0.84409868  0.67125980  0.41433286  1.0
  Cd  Cd22  1  0.25426703  0.43133340  0.57684560  1.0
  Au  Au23  1  0.12500000  0.37500000  0.25000000  1.0