# generated using pymatgen
data_Sm3In3Hg2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97346761
_cell_length_b   7.97346805
_cell_length_c   3.97131178
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999818
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3In3Hg2Ir
_chemical_formula_sum   'Sm3 In3 Hg2 Ir1'
_cell_volume   218.65485050
_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  0.58458430  0.61435568  0.00000000  1.0
  Sm  Sm1  1  0.38564432  0.97022762  0.00000000  1.0
  Sm  Sm2  1  0.02977238  0.41541570  0.00000000  1.0
  In  In3  1  0.00152707  0.72779762  0.50000000  1.0
  In  In4  1  0.27220238  0.27372945  0.50000000  1.0
  In  In5  1  0.72627055  0.99847293  0.50000000  1.0
  Hg  Hg6  1  0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg7  1  0.66666700  0.33333300  0.50000000  1.0
  Ir  Ir8  1  0.33333300  0.66666700  0.50000000  1.0