# generated using pymatgen
data_Be3Nb3FeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45168465
_cell_length_b   6.28866682
_cell_length_c   7.22223300
_cell_angle_alpha   115.80874361
_cell_angle_beta   116.52923479
_cell_angle_gamma   90.00000087
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Nb3FeRu2
_chemical_formula_sum   'Be6 Nb6 Fe2 Ru4'
_cell_volume   229.03798535
_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
  Be  Be0  1  0.16916064  0.66661811  0.33292568  1.0
  Be  Be1  1  0.83623495  0.33338189  0.66707432  1.0
  Be  Be2  1  0.16916064  0.16630658  0.33292568  1.0
  Be  Be3  1  0.83623495  0.83369342  0.66707432  1.0
  Be  Be4  1  0.51094104  0.74993639  0.99987178  1.0
  Be  Be5  1  0.51107025  0.25006361  0.00012822  1.0
  Nb  Nb6  1  0.90885906  0.95181865  0.40363731  1.0
  Nb  Nb7  1  0.50522276  0.04818135  0.59636269  1.0
  Nb  Nb8  1  0.50522493  0.54807862  0.59615524  1.0
  Nb  Nb9  1  0.90906969  0.45192138  0.40384476  1.0
  Nb  Nb10  1  0.08453413  0.74991790  0.99983580  1.0
  Nb  Nb11  1  0.08469733  0.25008210  0.00016420  1.0
  Fe  Fe12  1  0.75877716  0.50000000  0.00000000  1.0
  Fe  Fe13  1  0.75877716  1.00000000  0.00000000  1.0
  Ru  Ru14  1  0.25178503  0.87430540  0.74855440  1.0
  Ru  Ru15  1  0.50323063  0.12569460  0.25144560  1.0
  Ru  Ru16  1  0.25178503  0.37424900  0.74855440  1.0
  Ru  Ru17  1  0.50323063  0.62575100  0.25144560  1.0