# generated using pymatgen
data_Zr5Al(B2Ru5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09821334
_cell_length_b   9.41892254
_cell_length_c   9.41892254
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Al(B2Ru5)2
_chemical_formula_sum   'Zr5 Al1 B4 Ru10'
_cell_volume   274.86140950
_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  0.00000000  0.67160450  0.82059292  1.0
  Zr  Zr1  1  0.00000000  0.32839550  0.17940708  1.0
  Zr  Zr2  1  0.00000000  0.82059292  0.32839550  1.0
  Zr  Zr3  1  0.00000000  0.17940708  0.67160450  1.0
  Zr  Zr4  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al5  1  0.00000000  0.50000000  0.50000000  1.0
  B  B6  1  0.00000000  0.87221340  0.61832415  1.0
  B  B7  1  0.00000000  0.12778660  0.38167585  1.0
  B  B8  1  0.00000000  0.61832415  0.12778660  1.0
  B  B9  1  0.00000000  0.38167585  0.87221340  1.0
  Ru  Ru10  1  0.50000000  0.71468361  0.56759820  1.0
  Ru  Ru11  1  0.50000000  0.28531639  0.43240180  1.0
  Ru  Ru12  1  0.50000000  0.77819096  0.07506971  1.0
  Ru  Ru13  1  0.50000000  0.22180904  0.92493029  1.0
  Ru  Ru14  1  0.50000000  0.56759820  0.28531639  1.0
  Ru  Ru15  1  0.50000000  0.43240180  0.71468361  1.0
  Ru  Ru16  1  0.50000000  0.07506971  0.22180904  1.0
  Ru  Ru17  1  0.50000000  0.92493029  0.77819096  1.0
  Ru  Ru18  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru19  1  0.50000000  0.50000000  0.00000000  1.0