# generated using pymatgen
data_Nd2ZrIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80899512
_cell_length_b   5.34747773
_cell_length_c   5.80899480
_cell_angle_alpha   57.09808115
_cell_angle_beta   59.99708687
_cell_angle_gamma   57.09807194
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2ZrIr3
_chemical_formula_sum   'Nd2 Zr1 Ir3'
_cell_volume   121.70686762
_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  0.75014376  0.74956483  0.75014376  1.0
  Nd  Nd1  1  0.49985624  0.50043517  0.49985624  1.0
  Zr  Zr2  1  0.12500000  0.62500000  0.12500000  1.0
  Ir  Ir3  1  0.12500000  0.12500000  0.62500000  1.0
  Ir  Ir4  1  0.62500000  0.12500000  0.12500000  1.0
  Ir  Ir5  1  0.12500000  0.12500000  0.12500000  1.0