# generated using pymatgen
data_NdIn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37739523
_cell_length_b   5.65116252
_cell_length_c   8.01937832
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.78662189
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdIn2Ir
_chemical_formula_sum   'Nd2 In4 Ir2'
_cell_volume   182.89562962
_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  0.06924855  0.13849610  0.75000000  1.0
  Nd  Nd1  1  0.93075145  0.86150390  0.25000000  1.0
  In  In2  1  0.35412168  0.70824437  0.55112943  1.0
  In  In3  1  0.64587832  0.29175563  0.44887057  1.0
  In  In4  1  0.35412168  0.70824437  0.94887057  1.0
  In  In5  1  0.64587832  0.29175563  0.05112943  1.0
  Ir  Ir6  1  0.21966026  0.43931951  0.25000000  1.0
  Ir  Ir7  1  0.78033974  0.56068049  0.75000000  1.0