# generated using pymatgen
data_TiNb5Ir18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53441891
_cell_length_b   5.53441925
_cell_length_c   13.46254149
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999793
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb5Ir18
_chemical_formula_sum   'Ti1 Nb5 Ir18'
_cell_volume   357.10980902
_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  0.00000000  0.25000000  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.75000000  1.0
  Nb  Nb2  1  0.33333300  0.66666700  0.41020435  1.0
  Nb  Nb3  1  0.66666700  0.33333300  0.58670010  1.0
  Nb  Nb4  1  0.66666700  0.33333300  0.91329990  1.0
  Nb  Nb5  1  0.33333300  0.66666700  0.08979565  1.0
  Ir  Ir6  1  0.50351720  0.49648280  0.25000000  1.0
  Ir  Ir7  1  0.50351720  0.00703541  0.25000000  1.0
  Ir  Ir8  1  0.99296459  0.49648280  0.25000000  1.0
  Ir  Ir9  1  0.49635380  0.50364620  0.75000000  1.0
  Ir  Ir10  1  0.49635380  0.99270760  0.75000000  1.0
  Ir  Ir11  1  0.00729240  0.50364620  0.75000000  1.0
  Ir  Ir12  1  0.16585636  0.33170972  0.91741843  1.0
  Ir  Ir13  1  0.66829028  0.83414364  0.91741843  1.0
  Ir  Ir14  1  0.16585636  0.83414364  0.91741843  1.0
  Ir  Ir15  1  0.83459845  0.66919789  0.08375449  1.0
  Ir  Ir16  1  0.33080211  0.16540155  0.08375449  1.0
  Ir  Ir17  1  0.83459845  0.16540155  0.08375449  1.0
  Ir  Ir18  1  0.83459845  0.66919789  0.41624551  1.0
  Ir  Ir19  1  0.33080211  0.16540155  0.41624551  1.0
  Ir  Ir20  1  0.83459845  0.16540155  0.41624551  1.0
  Ir  Ir21  1  0.16585636  0.33170972  0.58258157  1.0
  Ir  Ir22  1  0.66829028  0.83414364  0.58258157  1.0
  Ir  Ir23  1  0.16585636  0.83414364  0.58258157  1.0