# generated using pymatgen
data_Nb2B(IrRu2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62183128
_cell_length_b   5.62183206
_cell_length_c   5.61115926
_cell_angle_alpha   60.06278057
_cell_angle_beta   60.06277600
_cell_angle_gamma   59.81418934
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2B(IrRu2)2
_chemical_formula_sum   'Nb2 B1 Ir2 Ru4'
_cell_volume   125.34008776
_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
  Nb  Nb0  1  0.25004571  0.25004571  0.24982998  1.0
  Nb  Nb1  1  0.74995429  0.74995429  0.74992139  1.0
  B  B2  1  0.50000000  0.50000000  0.50494384  1.0
  Ir  Ir3  1  0.75855025  0.24144975  0.24079342  1.0
  Ir  Ir4  1  0.24144975  0.75855025  0.24079342  1.0
  Ru  Ru5  1  0.75782700  0.75782700  0.24099899  1.0
  Ru  Ru6  1  0.24217300  0.24217300  0.75665399  1.0
  Ru  Ru7  1  0.75922554  0.24077446  0.75803198  1.0
  Ru  Ru8  1  0.24077446  0.75922554  0.75803198  1.0