# generated using pymatgen
data_Nb3V5(B2Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21678500
_cell_length_b   7.31841700
_cell_length_c   9.35885874
_cell_angle_alpha   89.86049579
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3V5(B2Ir)4
_chemical_formula_sum   'Nb3 V5 B8 Ir4'
_cell_volume   220.32348458
_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  0.32185100  0.12899600  1.0
  Nb  Nb1  1  0.50000000  0.67767400  0.87040100  1.0
  Nb  Nb2  1  0.00000000  0.82309400  0.37216300  1.0
  V  V3  1  0.00000000  0.18523100  0.63037000  1.0
  V  V4  1  0.50000000  0.07215700  0.86078300  1.0
  V  V5  1  0.50000000  0.93104500  0.13461300  1.0
  V  V6  1  0.00000000  0.56906300  0.63494000  1.0
  V  V7  1  0.00000000  0.42812500  0.36610200  1.0
  B  B8  1  0.50000000  0.38208900  0.53984300  1.0
  B  B9  1  0.50000000  0.60886800  0.46346300  1.0
  B  B10  1  0.00000000  0.89054300  0.96023700  1.0
  B  B11  1  0.00000000  0.11068300  0.03713400  1.0
  B  B12  1  0.50000000  0.37245800  0.72928200  1.0
  B  B13  1  0.50000000  0.61775800  0.26950500  1.0
  B  B14  1  0.00000000  0.88389900  0.76561600  1.0
  B  B15  1  0.00000000  0.11957100  0.23409100  1.0
  Ir  Ir16  1  0.50000000  0.87359100  0.60934300  1.0
  Ir  Ir17  1  0.50000000  0.13454700  0.39613700  1.0
  Ir  Ir18  1  0.00000000  0.36417300  0.88742500  1.0
  Ir  Ir19  1  0.00000000  0.63357900  0.10955500  1.0