# generated using pymatgen
data_Nd3(Sn2Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59957585
_cell_length_b   7.59957632
_cell_length_c   4.31165576
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001081
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3(Sn2Ir)2
_chemical_formula_sum   'Nd3 Sn4 Ir2'
_cell_volume   215.65195437
_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  0.98054137  0.39650438  0.50000000  1.0
  Nd  Nd1  1  0.60349562  0.58403898  0.50000000  1.0
  Nd  Nd2  1  0.41596102  0.01945863  0.50000000  1.0
  Sn  Sn3  1  0.97903073  0.74605709  0.00000000  1.0
  Sn  Sn4  1  0.25394291  0.23297364  0.00000000  1.0
  Sn  Sn5  1  0.76702636  0.02096927  0.00000000  1.0
  Sn  Sn6  1  0.33333300  0.66666700  0.00000000  1.0
  Ir  Ir7  1  0.66666700  0.33333300  0.00000000  1.0
  Ir  Ir8  1  0.00000000  0.00000000  0.50000000  1.0