# generated using pymatgen
data_Nb12IrOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17731010
_cell_length_b   5.17703404
_cell_length_c   10.32185065
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb12IrOs3
_chemical_formula_sum   'Nb12 Ir1 Os3'
_cell_volume   276.65770468
_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  0.50000000  0.00000000  0.37497796  1.0
  Nb  Nb1  1  0.50000000  0.00000000  0.87454016  1.0
  Nb  Nb2  1  0.74969345  0.50000000  0.00000000  1.0
  Nb  Nb3  1  0.74921050  0.50000000  0.50000000  1.0
  Nb  Nb4  1  0.00000000  0.74968798  0.24904911  1.0
  Nb  Nb5  1  0.00000000  0.74968798  0.75095089  1.0
  Nb  Nb6  1  0.50000000  0.00000000  0.12545984  1.0
  Nb  Nb7  1  0.50000000  0.00000000  0.62502204  1.0
  Nb  Nb8  1  0.25030655  0.50000000  0.00000000  1.0
  Nb  Nb9  1  0.25078950  0.50000000  0.50000000  1.0
  Nb  Nb10  1  0.00000000  0.25031202  0.24904911  1.0
  Nb  Nb11  1  0.00000000  0.25031202  0.75095089  1.0
  Ir  Ir12  1  0.00000000  0.00000000  0.50000000  1.0
  Os  Os13  1  0.50000000  0.50000000  0.25051790  1.0
  Os  Os14  1  0.50000000  0.50000000  0.74948210  1.0
  Os  Os15  1  0.00000000  0.00000000  0.00000000  1.0