# generated using pymatgen
data_SmIn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34093025
_cell_length_b   5.59464118
_cell_length_c   8.02030601
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.82725845
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmIn2Ir
_chemical_formula_sum   'Sm2 In4 Ir2'
_cell_volume   179.52524536
_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
  Sm  Sm0  1  0.06998515  0.13996931  0.75000000  1.0
  Sm  Sm1  1  0.93001485  0.86003069  0.25000000  1.0
  In  In2  1  0.35532199  0.71064197  0.55059199  1.0
  In  In3  1  0.64467801  0.28935803  0.44940801  1.0
  In  In4  1  0.35532199  0.71064197  0.94940801  1.0
  In  In5  1  0.64467801  0.28935803  0.05059199  1.0
  Ir  Ir6  1  0.22039798  0.44079595  0.25000000  1.0
  Ir  Ir7  1  0.77960202  0.55920405  0.75000000  1.0