data_[Sm16Hg4Ir8]
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 [Cc]
_cell_length_a [8.6616]
_cell_length_b [14.9243]
_cell_length_c [7.0939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.2313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Sm4HgIr2]
_chemical_formula_sum '[Sm16 Hg4 Ir8]'
_cell_volume [730.1322]
_cell_formula_units_Z [4]
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  4  0.0832  0.3177  0.2615  1.0
  Sm  Sm1  4  0.2625  0.2442  0.9335  1.0
  Sm  Sm2  4  0.3146  0.0410  0.2325  1.0
  Sm  Sm3  4  0.3335  0.4790  0.0806  1.0
  Hg  Hg4  4  0.0991  0.1307  0.4456  1.0
  Ir  Ir5  4  0.0643  0.4056  0.6156  1.0
  Ir  Ir6  4  0.4676  0.6586  0.9307  1.0
]