# generated using pymatgen
data_Nd2IrBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09590247
_cell_length_b   8.09590257
_cell_length_c   8.09590231
_cell_angle_alpha   29.68722062
_cell_angle_beta   29.68721576
_cell_angle_gamma   29.68721662
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2IrBr
_chemical_formula_sum   'Nd2 Ir1 Br1'
_cell_volume   115.23841952
_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
  Nd  Nd0  1  0.23168242  0.23168242  0.23168242  1.0
  Nd  Nd1  1  0.76831758  0.76831758  0.76831758  1.0
  Ir  Ir2  1  0.50000000  0.50000000  0.50000000  1.0
  Br  Br3  1  0.00000000  0.00000000  0.00000000  1.0