# generated using pymatgen
data_NdSnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44372355
_cell_length_b   7.44372355
_cell_length_c   4.18903339
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999516
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdSnIr
_chemical_formula_sum   'Nd3 Sn3 Ir3'
_cell_volume   201.01337102
_cell_formula_units_Z   3
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  0.58722249  1.00000000  0.00000000  1.0
  Nd  Nd1  1  1.00000000  0.58722249  0.00000000  1.0
  Nd  Nd2  1  0.41277751  0.41277751  0.00000000  1.0
  Sn  Sn3  1  0.24980650  1.00000000  0.50000000  1.0
  Sn  Sn4  1  1.00000000  0.24980650  0.50000000  1.0
  Sn  Sn5  1  0.75019350  0.75019350  0.50000000  1.0
  Ir  Ir6  1  0.33333300  0.66666700  0.50000000  1.0
  Ir  Ir7  1  0.66666700  0.33333300  0.50000000  1.0
  Ir  Ir8  1  0.00000000  -0.00000000  0.00000000  1.0