data_[Sm24Cd4Hg8]
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 [Immm]
_cell_length_a [10.0562]
_cell_length_b [10.3147]
_cell_length_c [10.5722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm6CdHg2]
_chemical_formula_sum '[Sm24 Cd4 Hg8]'
_cell_volume [1096.6263]
_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  8  0.0000  0.2777  0.3245  1.0
  Sm  Sm1  8  0.1788  0.2694  0.0000  1.0
  Sm  Sm2  8  0.1978  0.0000  0.2508  1.0
  Cd  Cd3  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd4  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg5  4  0.0000  0.5000  0.1369  1.0
  Hg  Hg6  4  0.1499  0.5000  0.5000  1.0
]