# generated using pymatgen
data_SmNi4Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04153516
_cell_length_b   5.04153476
_cell_length_c   3.97555498
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   122.28955776
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmNi4Ir
_chemical_formula_sum   'Sm1 Ni4 Ir1'
_cell_volume   85.42099333
_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
  Sm  Sm0  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.32501598  0.67498402  0.00000000  1.0
  Ni  Ni2  1  0.67498402  0.32501598  0.00000000  1.0
  Ni  Ni3  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni4  1  0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir5  1  0.50000000  0.50000000  0.50000000  1.0