# generated using pymatgen
data_Zr3Al3(B2Ru5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.27493810
_cell_length_b   9.27493727
_cell_length_c   3.03685985
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.91763090
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Al3(B2Ru5)2
_chemical_formula_sum   'Zr3 Al3 B4 Ru10'
_cell_volume   261.21075220
_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
  Zr  Zr0  1  0.82136215  0.67392271  0.00000000  1.0
  Zr  Zr1  1  0.17392271  0.32136215  0.00000000  1.0
  Zr  Zr2  1  0.32764214  0.82764214  0.00000000  1.0
  Al  Al3  1  0.68044331  0.18044331  0.00000000  1.0
  Al  Al4  1  0.49732831  0.50674229  0.00000000  1.0
  Al  Al5  1  0.00674229  0.99732831  0.00000000  1.0
  B  B6  1  0.62699200  0.87725005  0.00000000  1.0
  B  B7  1  0.37725005  0.12699200  0.00000000  1.0
  B  B8  1  0.12184656  0.62184656  0.00000000  1.0
  B  B9  1  0.86903652  0.36903652  0.00000000  1.0
  Ru  Ru10  1  0.56857873  0.71915751  0.50000000  1.0
  Ru  Ru11  1  0.43414038  0.28773148  0.50000000  1.0
  Ru  Ru12  1  0.07033248  0.78205962  0.50000000  1.0
  Ru  Ru13  1  0.91952830  0.20738119  0.50000000  1.0
  Ru  Ru14  1  0.28205962  0.57033248  0.50000000  1.0
  Ru  Ru15  1  0.70738119  0.41952830  0.50000000  1.0
  Ru  Ru16  1  0.21915751  0.06857873  0.50000000  1.0
  Ru  Ru17  1  0.78773148  0.93414038  0.50000000  1.0
  Ru  Ru18  1  0.51267248  0.01267248  0.50000000  1.0
  Ru  Ru19  1  0.99585280  0.49585280  0.50000000  1.0