# generated using pymatgen
data_Ca12PaGa7Ir8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81985461
_cell_length_b   7.92139992
_cell_length_c   13.81647152
_cell_angle_alpha   90.12882914
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca12PaGa7Ir8
_chemical_formula_sum   'Ca12 Pa1 Ga7 Ir8'
_cell_volume   636.95701233
_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  0.13435384  0.62080247  0.10278332  1.0
  Ca  Ca1  1  0.13435384  0.87919753  0.89721668  1.0
  Ca  Ca2  1  0.85926781  0.10608614  0.40593782  1.0
  Ca  Ca3  1  0.85926781  0.39391386  0.59406218  1.0
  Ca  Ca4  1  0.85813750  0.40615960  0.89371132  1.0
  Ca  Ca5  1  0.85813750  0.09384040  0.10628868  1.0
  Ca  Ca6  1  0.14039209  0.89274756  0.59630480  1.0
  Ca  Ca7  1  0.14039209  0.60725244  0.40369520  1.0
  Ca  Ca8  1  0.37435163  0.26074914  0.26228392  1.0
  Ca  Ca9  1  0.37435163  0.23925086  0.73771608  1.0
  Ca  Ca10  1  0.62786045  0.75590484  0.25944635  1.0
  Ca  Ca11  1  0.62786045  0.74409516  0.74055365  1.0
  Pa  Pa12  1  0.37990222  0.25000000  0.00000000  1.0
  Ga  Ga13  1  0.59463928  0.75000000  0.50000000  1.0
  Ga  Ga14  1  0.60527896  0.75000000  0.00000000  1.0
  Ga  Ga15  1  0.40587337  0.25000000  0.50000000  1.0
  Ga  Ga16  1  0.83967430  0.40987954  0.24891140  1.0
  Ga  Ga17  1  0.83967430  0.09012046  0.75108860  1.0
  Ga  Ga18  1  0.16106801  0.91979494  0.25552687  1.0
  Ga  Ga19  1  0.16106801  0.58020506  0.74447313  1.0
  Ir  Ir20  1  0.64229493  0.47127984  0.09059676  1.0
  Ir  Ir21  1  0.64229493  0.02872016  0.90940324  1.0
  Ir  Ir22  1  0.36272363  0.97412032  0.41041445  1.0
  Ir  Ir23  1  0.36272363  0.52587968  0.58958555  1.0
  Ir  Ir24  1  0.36228078  0.52578925  0.90664821  1.0
  Ir  Ir25  1  0.36228078  0.97421075  0.09335179  1.0
  Ir  Ir26  1  0.64474962  0.02689814  0.59250257  1.0
  Ir  Ir27  1  0.64474962  0.47310186  0.40749743  1.0