data_[Sm6Cd45Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.1415]
_cell_length_b [10.1415]
_cell_length_c [14.8950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm2Cd15Hg2]
_chemical_formula_sum '[Sm6 Cd45 Hg6]'
_cell_volume [1326.7027]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3266  1.0
  Cd  Cd1  18  0.0000  0.3024  0.0000  1.0
  Cd  Cd2  18  0.0171  0.5085  0.1466  1.0
  Cd  Cd3  9  0.0000  0.5000  0.5000  1.0
  Hg  Hg4  6  0.0000  0.0000  0.1068  1.0
]