# generated using pymatgen
data_Zr2Re2B4Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07878435
_cell_length_b   8.58909053
_cell_length_c   9.97939128
_cell_angle_alpha   89.99791933
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Re2B4Ru3
_chemical_formula_sum   'Zr4 Re4 B8 Ru6'
_cell_volume   263.89459933
_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  0.50000000  0.83910054  0.18109794  1.0
  Zr  Zr1  1  0.50000000  0.16089946  0.81890206  1.0
  Zr  Zr2  1  0.50000000  0.66093925  0.68108816  1.0
  Zr  Zr3  1  0.50000000  0.33906075  0.31891184  1.0
  Re  Re4  1  0.00000000  0.66107150  0.95277735  1.0
  Re  Re5  1  0.00000000  0.33892850  0.04722265  1.0
  Re  Re6  1  0.00000000  0.83896746  0.45280996  1.0
  Re  Re7  1  0.00000000  0.16103254  0.54719004  1.0
  B  B8  1  0.50000000  0.96549261  0.58817997  1.0
  B  B9  1  0.50000000  0.03450739  0.41182003  1.0
  B  B10  1  0.50000000  0.84827378  0.90134788  1.0
  B  B11  1  0.50000000  0.15172622  0.09865212  1.0
  B  B12  1  0.50000000  0.65176108  0.40135955  1.0
  B  B13  1  0.50000000  0.34823892  0.59864045  1.0
  B  B14  1  0.50000000  0.46549927  0.91184168  1.0
  B  B15  1  0.50000000  0.53450073  0.08815832  1.0
  Ru  Ru16  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru17  1  0.00000000  0.40790925  0.75987418  1.0
  Ru  Ru18  1  0.00000000  0.59209075  0.24012582  1.0
  Ru  Ru19  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru20  1  0.00000000  0.90791075  0.74017828  1.0
  Ru  Ru21  1  0.00000000  0.09208925  0.25982172  1.0