# generated using pymatgen
data_Nd(BIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11100126
_cell_length_b   6.12612752
_cell_length_c   5.57973915
_cell_angle_alpha   74.65040735
_cell_angle_beta   56.17782769
_cell_angle_gamma   49.17176496
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd(BIr)2
_chemical_formula_sum   'Nd2 B4 Ir4'
_cell_volume   150.88382523
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.50000000  0.50000000  0.50000000  1.0
  Nd  Nd1  1  0.75000000  0.75000000  0.75000000  1.0
  B  B2  1  0.17850429  0.82149571  0.17850429  1.0
  B  B3  1  0.07149571  0.42850429  0.07149571  1.0
  B  B4  1  0.82149571  0.17850429  0.82149571  1.0
  B  B5  1  0.42850429  0.07149571  0.42850429  1.0
  Ir  Ir6  1  0.87041259  0.87041259  0.12958741  1.0
  Ir  Ir7  1  0.12958741  0.12958741  0.87041259  1.0
  Ir  Ir8  1  0.37958741  0.37958741  0.12041259  1.0
  Ir  Ir9  1  0.12041259  0.12041259  0.37958741  1.0