# generated using pymatgen
data_TiNb5Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15503199
_cell_length_b   5.15503199
_cell_length_c   5.12392710
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb5Ir2
_chemical_formula_sum   'Ti1 Nb5 Ir2'
_cell_volume   136.16505677
_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
  Ti  Ti0  1  0.00000000  0.49999900  0.75000100  1.0
  Nb  Nb1  1  0.49999900  0.25035422  0.99635010  1.0
  Nb  Nb2  1  0.49999900  0.74964678  0.99635010  1.0
  Nb  Nb3  1  0.00000000  0.49999900  0.25000000  1.0
  Nb  Nb4  1  0.24964578  0.00000000  0.50364890  1.0
  Nb  Nb5  1  0.75035522  0.00000000  0.50364890  1.0
  Ir  Ir6  1  0.00000000  0.00000000  0.00000995  1.0
  Ir  Ir7  1  0.49999900  0.49999900  0.49998905  1.0