data_[Sm22Cd8Hg18]
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 [Cmmm]
_cell_length_a [16.2487]
_cell_length_b [21.5045]
_cell_length_c [3.7398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sm11Cd4Hg9]
_chemical_formula_sum '[Sm22 Cd8 Hg18]'
_cell_volume [1306.7659]
_cell_formula_units_Z [2]
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  0.2345  0.1704  0.0000  1
  Sm  Sm1  4  0.0000  0.1863  0.0000  1
  Sm  Sm2  4  0.0000  0.3650  0.0000  1
  Sm  Sm3  4  0.2204  0.0000  0.0000  1
  Sm  Sm4  2  0.0000  0.0000  0.0000  1
  Cd  Cd5  8  0.1501  0.4224  0.5000  1
  Hg  Hg6  8  0.1072  0.0933  0.5000  1
  Hg  Hg7  8  0.1189  0.2716  0.5000  1
  Hg  Hg8  2  0.0000  0.5000  0.5000  1
]