data_[Sm2Cd10Hg12]
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 [4.8136]
_cell_length_b [7.6486]
_cell_length_c [15.8354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [SmCd5Hg6]
_chemical_formula_sum '[Sm2 Cd10 Hg12]'
_cell_volume [583.0139]
_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  2  0.0000  0.0000  0.0000  1
  Cd  Cd1  4  0.0000  0.0000  0.3150  1
  Cd  Cd2  4  0.0000  0.5000  0.3364  1
  Cd  Cd3  2  0.0000  0.5000  0.0000  1
  Hg  Hg4  8  0.0000  0.2603  0.1619  1
  Hg  Hg5  4  0.0000  0.2297  0.5000  1
]