# generated using pymatgen
data_Ca6Ga6Ir3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80367575
_cell_length_b   8.17375361
_cell_length_c   14.71950254
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.69804783
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6Ga6Ir3Ru
_chemical_formula_sum   'Ca12 Ga12 Ir6 Ru2'
_cell_volume   698.20922622
_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  0.11275687  0.55032524  0.60849419  1.0
  Ca  Ca1  1  0.61108699  0.70476387  0.74921992  1.0
  Ca  Ca2  1  0.61098668  0.95054077  0.10695038  1.0
  Ca  Ca3  1  0.38724313  0.05032524  0.89150581  1.0
  Ca  Ca4  1  0.61220138  0.94895490  0.39297772  1.0
  Ca  Ca5  1  0.88891301  0.20476387  0.75078008  1.0
  Ca  Ca6  1  0.38288015  0.29636504  0.25007891  1.0
  Ca  Ca7  1  0.38817589  0.05292935  0.60725938  1.0
  Ca  Ca8  1  0.88779862  0.44895490  0.10702228  1.0
  Ca  Ca9  1  0.11182411  0.55292935  0.89274062  1.0
  Ca  Ca10  1  0.11711985  0.79636504  0.24992109  1.0
  Ca  Ca11  1  0.88901332  0.45054077  0.39304962  1.0
  Ga  Ga12  1  0.06233191  0.86179933  0.74860740  1.0
  Ga  Ga13  1  0.86636032  0.18188015  0.96092820  1.0
  Ga  Ga14  1  0.93199155  0.13735727  0.25255527  1.0
  Ga  Ga15  1  0.56800845  0.63735727  0.24744473  1.0
  Ga  Ga16  1  0.13527007  0.81505756  0.46063366  1.0
  Ga  Ga17  1  0.36472993  0.31505756  0.03936634  1.0
  Ga  Ga18  1  0.63363968  0.68188015  0.53907180  1.0
  Ga  Ga19  1  0.63376997  0.68011992  0.95887697  1.0
  Ga  Ga20  1  0.37078880  0.32096686  0.46032902  1.0
  Ga  Ga21  1  0.12921120  0.82096686  0.03967098  1.0
  Ga  Ga22  1  0.43766809  0.36179933  0.75139260  1.0
  Ga  Ga23  1  0.86623003  0.18011992  0.54112303  1.0
  Ir  Ir24  1  0.89358424  0.89643965  0.90226392  1.0
  Ir  Ir25  1  0.39543150  0.60393480  0.09343473  1.0
  Ir  Ir26  1  0.10456850  0.10393480  0.40656527  1.0
  Ir  Ir27  1  0.39774744  0.60403730  0.40016146  1.0
  Ir  Ir28  1  0.60641576  0.39643965  0.59773608  1.0
  Ir  Ir29  1  0.10225256  0.10403730  0.09983854  1.0
  Ru  Ru30  1  0.90435808  0.89452599  0.59292946  1.0
  Ru  Ru31  1  0.59564192  0.39452599  0.90707054  1.0