data_[Sm3Cd24Hg18]
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-3]
_cell_length_a [8.7891]
_cell_length_b [8.7891]
_cell_length_c [18.2561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sm(Cd4Hg3)2]
_chemical_formula_sum '[Sm3 Cd24 Hg18]'
_cell_volume [1221.3258]
_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  3  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  18  0.0167  0.7059  0.5602  1.0
  Cd  Cd2  6  0.0000  0.0000  0.3467  1.0
  Hg  Hg3  18  0.0197  0.6458  0.4026  1.0
]