# generated using pymatgen
data_Nb5Cr(GaRu2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34907521
_cell_length_b   6.14314947
_cell_length_c   13.03252974
_cell_angle_alpha   89.99957048
_cell_angle_beta   90.00006781
_cell_angle_gamma   90.00008487
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Cr(GaRu2)6
_chemical_formula_sum   'Nb5 Cr1 Ga6 Ru12'
_cell_volume   348.19034539
_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
  Nb  Nb0  1  0.99999429  0.99998055  0.99580237  1.0
  Nb  Nb1  1  0.49997814  0.50000241  0.16424240  1.0
  Nb  Nb2  1  0.99998369  0.00001450  0.33333258  1.0
  Nb  Nb3  1  0.50000883  0.50001843  0.50238155  1.0
  Nb  Nb4  1  0.00002936  0.99999569  0.67094450  1.0
  Cr  Cr5  1  0.50001813  0.49997659  0.83334797  1.0
  Ga  Ga6  1  0.99998955  0.49998554  0.99821962  1.0
  Ga  Ga7  1  0.49996955  0.00000479  0.16405669  1.0
  Ga  Ga8  1  0.99997387  0.50001773  0.33327489  1.0
  Ga  Ga9  1  0.50000262  0.00002304  0.50251265  1.0
  Ga  Ga10  1  0.00003519  0.49999324  0.66845055  1.0
  Ga  Ga11  1  0.50001934  0.99998762  0.83331958  1.0
  Ru  Ru12  1  0.49999236  0.25322942  0.99706664  1.0
  Ru  Ru13  1  0.49999461  0.74674240  0.99706437  1.0
  Ru  Ru14  1  0.99997337  0.24955149  0.16581457  1.0
  Ru  Ru15  1  0.99997498  0.75045789  0.16581536  1.0
  Ru  Ru16  1  0.49998072  0.24976184  0.33331073  1.0
  Ru  Ru17  1  0.49998025  0.75027640  0.33330902  1.0
  Ru  Ru18  1  0.00000419  0.24956585  0.50084656  1.0
  Ru  Ru19  1  0.00000547  0.75045750  0.50084625  1.0
  Ru  Ru20  1  0.50002747  0.25322537  0.66964217  1.0
  Ru  Ru21  1  0.50002933  0.74676249  0.66964383  1.0
  Ru  Ru22  1  0.00001705  0.25746306  0.83337761  1.0
  Ru  Ru23  1  0.00002166  0.74250315  0.83337754  1.0