# generated using pymatgen
data_Ca3Ga3IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16260240
_cell_length_b   14.73881740
_cell_length_c   5.79672208
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Ga3IrRu
_chemical_formula_sum   'Ca12 Ga12 Ir4 Ru4'
_cell_volume   697.38685993
_cell_formula_units_Z   4
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  0.55030907  0.89198449  0.10960220  1.0
  Ca  Ca1  1  0.55030907  0.60801551  0.10960220  1.0
  Ca  Ca2  1  0.94969093  0.39198449  0.60960120  1.0
  Ca  Ca3  1  0.05172558  0.89362608  0.38728778  1.0
  Ca  Ca4  1  0.44827442  0.10637492  0.88728678  1.0
  Ca  Ca5  1  0.70396615  0.75000000  0.61047120  1.0
  Ca  Ca6  1  0.79603385  0.25000000  0.11047120  1.0
  Ca  Ca7  1  0.20454079  0.75000000  0.88539019  1.0
  Ca  Ca8  1  0.29545921  0.25000000  0.38539019  1.0
  Ca  Ca9  1  0.44827442  0.39362608  0.88728678  1.0
  Ca  Ca10  1  0.05172558  0.60637392  0.38728778  1.0
  Ca  Ca11  1  0.94969093  0.10801651  0.60960120  1.0
  Ga  Ga12  1  0.86061998  0.75000000  0.06449032  1.0
  Ga  Ga13  1  0.63938002  0.25000000  0.56449132  1.0
  Ga  Ga14  1  0.36364126  0.75000000  0.43435654  1.0
  Ga  Ga15  1  0.13635874  0.25000000  0.93435554  1.0
  Ga  Ga16  1  0.32121620  0.45871361  0.36768534  1.0
  Ga  Ga17  1  0.17878380  0.54128539  0.86768434  1.0
  Ga  Ga18  1  0.81360187  0.03930890  0.13160674  1.0
  Ga  Ga19  1  0.68639813  0.96069210  0.63160674  1.0
  Ga  Ga20  1  0.68639813  0.53930790  0.63160674  1.0
  Ga  Ga21  1  0.81360187  0.46069110  0.13160674  1.0
  Ga  Ga22  1  0.17878380  0.95871461  0.86768434  1.0
  Ga  Ga23  1  0.32121620  0.04128639  0.36768534  1.0
  Ir  Ir24  1  0.39632481  0.90397938  0.60214837  1.0
  Ir  Ir25  1  0.10367519  0.09602162  0.10214737  1.0
  Ir  Ir26  1  0.10367519  0.40397838  0.10214737  1.0
  Ir  Ir27  1  0.39632481  0.59602162  0.60214837  1.0
  Ru  Ru28  1  0.60474545  0.09522918  0.40431945  1.0
  Ru  Ru29  1  0.89525455  0.90477182  0.90431945  1.0
  Ru  Ru30  1  0.89525455  0.59522918  0.90431945  1.0
  Ru  Ru31  1  0.60474545  0.40477082  0.40431945  1.0