# generated using pymatgen
data_Nd2IrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62407754
_cell_length_b   3.74753035
_cell_length_c   7.04730553
_cell_angle_alpha   105.41947191
_cell_angle_beta   104.89954223
_cell_angle_gamma   90.00000195
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2IrN3
_chemical_formula_sum   'Nd2 Ir1 N3'
_cell_volume   88.92411993
_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  0.65285852  0.65285952  0.30572004  1.0
  Nd  Nd1  1  0.34714048  0.34714048  0.69428096  1.0
  Ir  Ir2  1  0.00000000  0.00000000  0.00000000  1.0
  N  N3  1  0.00000100  0.49999900  0.99999900  1.0
  N  N4  1  0.16538048  0.16538048  0.33076096  1.0
  N  N5  1  0.83461852  0.83461852  0.66923904  1.0