# generated using pymatgen
data_NdIrBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32042998
_cell_length_b   4.32043058
_cell_length_c   11.30389506
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999541
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdIrBr
_chemical_formula_sum   'Nd2 Ir2 Br2'
_cell_volume   182.73122763
_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  0.00000000  0.00000000  0.33295758  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.66704242  1.0
  Ir  Ir2  1  0.33333300  0.66666600  0.49500621  1.0
  Ir  Ir3  1  0.66666600  0.33333500  0.50499379  1.0
  Br  Br4  1  0.66666600  0.33333500  0.16997593  1.0
  Br  Br5  1  0.33333300  0.66666600  0.83002407  1.0