# generated using pymatgen
data_ZrNb2B2Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.44253724
_cell_length_b   9.44261133
_cell_length_c   3.06084791
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.91066998
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNb2B2Ru5
_chemical_formula_sum   'Zr2 Nb4 B4 Ru10'
_cell_volume   272.91162999
_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  0.17591643  0.17591599  0.00000000  1.0
  Zr  Zr1  1  0.82408357  0.82408401  0.00000000  1.0
  Nb  Nb2  1  0.50000000  0.00000000  0.00000000  1.0
  Nb  Nb3  1  0.00000000  0.50000000  0.00000000  1.0
  Nb  Nb4  1  0.67605706  0.32394482  0.00000000  1.0
  Nb  Nb5  1  0.32394294  0.67605518  0.00000000  1.0
  B  B6  1  0.37903718  0.37903385  0.00000000  1.0
  B  B7  1  0.62096282  0.62096615  0.00000000  1.0
  B  B8  1  0.87862360  0.12137177  0.00000000  1.0
  B  B9  1  0.12137640  0.87862823  0.00000000  1.0
  Ru  Ru10  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru11  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru12  1  0.43272739  0.22042353  0.50000000  1.0
  Ru  Ru13  1  0.56727261  0.77957647  0.50000000  1.0
  Ru  Ru14  1  0.92557545  0.28252830  0.50000000  1.0
  Ru  Ru15  1  0.07442455  0.71747170  0.50000000  1.0
  Ru  Ru16  1  0.71747065  0.07441347  0.50000000  1.0
  Ru  Ru17  1  0.28252935  0.92558653  0.50000000  1.0
  Ru  Ru18  1  0.77957634  0.56728103  0.50000000  1.0
  Ru  Ru19  1  0.22042366  0.43271897  0.50000000  1.0