# generated using pymatgen
data_Ca3Ga3Ru2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83925432
_cell_length_b   8.22675246
_cell_length_c   14.58461779
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Ga3Ru2
_chemical_formula_sum   'Ca12 Ga12 Ru8'
_cell_volume   700.61732527
_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  0.11292051  0.55082514  0.60707491  1.0
  Ca  Ca1  1  0.60680397  0.70112079  0.75000000  1.0
  Ca  Ca2  1  0.61292051  0.94917486  0.10707491  1.0
  Ca  Ca3  1  0.38707949  0.05082514  0.89292509  1.0
  Ca  Ca4  1  0.61292051  0.94917486  0.39292509  1.0
  Ca  Ca5  1  0.89319603  0.20112079  0.75000000  1.0
  Ca  Ca6  1  0.39319603  0.29887921  0.25000000  1.0
  Ca  Ca7  1  0.38707949  0.05082514  0.60707491  1.0
  Ca  Ca8  1  0.88707949  0.44917486  0.10707491  1.0
  Ca  Ca9  1  0.11292051  0.55082514  0.89292509  1.0
  Ca  Ca10  1  0.10680397  0.79887921  0.25000000  1.0
  Ca  Ca11  1  0.88707949  0.44917486  0.39292509  1.0
  Ga  Ga12  1  0.06028271  0.85705360  0.75000000  1.0
  Ga  Ga13  1  0.86325453  0.18433200  0.95923898  1.0
  Ga  Ga14  1  0.93971729  0.14294640  0.25000000  1.0
  Ga  Ga15  1  0.56028271  0.64294640  0.25000000  1.0
  Ga  Ga16  1  0.13674547  0.81566800  0.45923898  1.0
  Ga  Ga17  1  0.36325453  0.31566800  0.04076102  1.0
  Ga  Ga18  1  0.63674547  0.68433200  0.54076102  1.0
  Ga  Ga19  1  0.63674547  0.68433200  0.95923898  1.0
  Ga  Ga20  1  0.36325453  0.31566800  0.45923898  1.0
  Ga  Ga21  1  0.13674547  0.81566800  0.04076102  1.0
  Ga  Ga22  1  0.43971729  0.35705360  0.75000000  1.0
  Ga  Ga23  1  0.86325453  0.18433200  0.54076102  1.0
  Ru  Ru24  1  0.90482261  0.89814982  0.59329314  1.0
  Ru  Ru25  1  0.59517739  0.39814982  0.90670686  1.0
  Ru  Ru26  1  0.90482261  0.89814982  0.90670686  1.0
  Ru  Ru27  1  0.40482261  0.60185018  0.09329314  1.0
  Ru  Ru28  1  0.09517739  0.10185018  0.40670686  1.0
  Ru  Ru29  1  0.40482261  0.60185018  0.40670686  1.0
  Ru  Ru30  1  0.59517739  0.39814982  0.59329314  1.0
  Ru  Ru31  1  0.09517739  0.10185018  0.09329314  1.0