data_[Sm12Hg10Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6245]
_cell_length_b [12.1705]
_cell_length_c [6.8831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Hg5Ir]
_chemical_formula_sum '[Sm12 Hg10 Ir2]'
_cell_volume [695.5741]
_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  8  0.2115  0.1566  0.2097  1
  Sm  Sm1  4  0.1947  0.0000  0.7200  1
  Hg  Hg2  4  0.0000  0.2173  0.5000  1
  Hg  Hg3  4  0.0000  0.3676  0.0000  1
  Hg  Hg4  2  0.0000  0.5000  0.5000  1
  Ir  Ir5  2  0.0000  0.0000  0.0000  1
]