data_[Sm16Hg4Rh8]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.5899]
_cell_length_b [14.8903]
_cell_length_c [7.0967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.1604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Sm4HgRh2]
_chemical_formula_sum '[Sm16 Hg4 Rh8]'
_cell_volume [723.4047]
_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  0.1578  0.0274  0.9075  1.0
  Sm  Sm1  4  0.1842  0.4585  0.7654  1.0
  Sm  Sm2  4  0.2463  0.2603  0.0865  1.0
  Sm  Sm3  4  0.4126  0.1772  0.7328  1.0
  Hg  Hg4  4  0.4087  0.6297  0.0701  1.0
  Rh  Rh5  4  0.0286  0.8356  0.0619  1.0
  Rh  Rh6  4  0.4284  0.0916  0.3761  1.0
]