# generated using pymatgen
data_Nd2NiIrI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18620022
_cell_length_b   4.18619395
_cell_length_c   12.26073746
_cell_angle_alpha   89.99967694
_cell_angle_beta   90.00027003
_cell_angle_gamma   119.99984094
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2NiIrI2
_chemical_formula_sum   'Nd2 Ni1 Ir1 I2'
_cell_volume   186.07467199
_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  0.99999900  0.00000000  0.34374676  1.0
  Nd  Nd1  1  0.99999900  0.00000000  0.65571358  1.0
  Ni  Ni2  1  0.66666700  0.33333400  0.50281413  1.0
  Ir  Ir3  1  0.33333200  0.66666700  0.49724772  1.0
  I  I4  1  0.66666700  0.33333500  0.16491939  1.0
  I  I5  1  0.33333300  0.66666600  0.83555742  1.0