# generated using pymatgen
data_ZrNb2(GaRu2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39135694
_cell_length_b   6.20306121
_cell_length_c   13.17439433
_cell_angle_alpha   90.00000870
_cell_angle_beta   90.00015648
_cell_angle_gamma   90.00034140
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNb2(GaRu2)3
_chemical_formula_sum   'Zr2 Nb4 Ga6 Ru12'
_cell_volume   358.86860273
_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
  Zr  Zr0  1  0.00005683  0.00000438  0.66605947  1.0
  Zr  Zr1  1  0.50006318  0.49999852  0.83395199  1.0
  Nb  Nb2  1  0.99999225  0.00001613  0.00039680  1.0
  Nb  Nb3  1  0.49997018  0.49997140  0.16667061  1.0
  Nb  Nb4  1  0.99997670  0.00002473  0.33332820  1.0
  Nb  Nb5  1  0.49999237  0.49998461  0.49959493  1.0
  Ga  Ga6  1  0.99999827  0.49998401  0.00085220  1.0
  Ga  Ga7  1  0.49991487  0.00002526  0.16801940  1.0
  Ga  Ga8  1  0.99991809  0.49997675  0.33198541  1.0
  Ga  Ga9  1  0.49999582  0.00001729  0.49919307  1.0
  Ga  Ga10  1  0.00006840  0.49999540  0.66704173  1.0
  Ga  Ga11  1  0.50006582  0.00000408  0.83289825  1.0
  Ru  Ru12  1  0.49999726  0.24668365  0.00449440  1.0
  Ru  Ru13  1  0.49999411  0.75331775  0.00448715  1.0
  Ru  Ru14  1  0.99993420  0.25057684  0.16775248  1.0
  Ru  Ru15  1  0.99993533  0.74942344  0.16775184  1.0
  Ru  Ru16  1  0.49993958  0.24941194  0.33225251  1.0
  Ru  Ru17  1  0.49993918  0.75058965  0.33225380  1.0
  Ru  Ru18  1  0.99999491  0.25329719  0.49550774  1.0
  Ru  Ru19  1  0.99999628  0.74670244  0.49551330  1.0
  Ru  Ru20  1  0.50006196  0.25401102  0.66294429  1.0
  Ru  Ru21  1  0.50006123  0.74599098  0.66294863  1.0
  Ru  Ru22  1  0.00006231  0.24600150  0.83705361  1.0
  Ru  Ru23  1  0.00006387  0.75399803  0.83705019  1.0