# generated using pymatgen
data_ZrNb5(B2Ru5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.43640572
_cell_length_b   9.43640572
_cell_length_c   3.03745097
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.04552504
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNb5(B2Ru5)2
_chemical_formula_sum   'Zr1 Nb5 B4 Ru10'
_cell_volume   270.47202348
_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  0.82447098  0.67552902  0.00000000  1.0
  Nb  Nb1  1  0.17659489  0.32340511  0.00000000  1.0
  Nb  Nb2  1  0.32415435  0.82337929  0.00000000  1.0
  Nb  Nb3  1  0.67662071  0.17584565  0.00000000  1.0
  Nb  Nb4  1  0.49975100  0.49996680  0.00000000  1.0
  Nb  Nb5  1  0.00003320  0.00024900  0.00000000  1.0
  B  B6  1  0.62049445  0.87950555  0.00000000  1.0
  B  B7  1  0.37819469  0.12180531  0.00000000  1.0
  B  B8  1  0.12155326  0.62116002  0.00000000  1.0
  B  B9  1  0.87883998  0.37844674  0.00000000  1.0
  Ru  Ru10  1  0.56696344  0.72065918  0.50000000  1.0
  Ru  Ru11  1  0.42856859  0.28119312  0.50000000  1.0
  Ru  Ru12  1  0.07464073  0.78178129  0.50000000  1.0
  Ru  Ru13  1  0.92903916  0.21834431  0.50000000  1.0
  Ru  Ru14  1  0.28165569  0.57096084  0.50000000  1.0
  Ru  Ru15  1  0.71821871  0.42535927  0.50000000  1.0
  Ru  Ru16  1  0.21880688  0.07143141  0.50000000  1.0
  Ru  Ru17  1  0.77934082  0.93303656  0.50000000  1.0
  Ru  Ru18  1  0.49893072  0.00106928  0.50000000  1.0
  Ru  Ru19  1  0.00312675  0.49687325  0.50000000  1.0