# generated using pymatgen
data_Nb2Ir5Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54542769
_cell_length_b   5.56218771
_cell_length_c   4.46194703
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.90037391
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Ir5Ru
_chemical_formula_sum   'Nb2 Ir5 Ru1'
_cell_volume   119.30835074
_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  0.66659908  0.33319717  0.25000000  1.0
  Nb  Nb1  1  0.33218356  0.66436813  0.75000000  1.0
  Ir  Ir2  1  0.83669218  0.16481648  0.75000000  1.0
  Ir  Ir3  1  0.32812530  0.16481648  0.75000000  1.0
  Ir  Ir4  1  0.83666881  0.67333761  0.75000000  1.0
  Ir  Ir5  1  0.16297282  0.83601006  0.25000000  1.0
  Ir  Ir6  1  0.67303624  0.83601006  0.25000000  1.0
  Ru  Ru7  1  0.16372200  0.32744500  0.25000000  1.0