data_[Sm4Cd4Hg6]
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 [5.0633]
_cell_length_b [20.5086]
_cell_length_c [3.4262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sm2Cd2Hg3]
_chemical_formula_sum '[Sm4 Cd4 Hg6]'
_cell_volume [355.7811]
_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  4  0.0000  0.1484  0.5000  1
  Cd  Cd1  4  0.0000  0.4284  0.0000  1
  Hg  Hg2  4  0.0000  0.2875  0.0000  1
  Hg  Hg3  2  0.0000  0.0000  0.0000  1
]