data_[Sm22Zn8Hg18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [14.7639]
_cell_length_b [22.1043]
_cell_length_c [3.8077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sm11Zn4Hg9]
_chemical_formula_sum '[Sm22 Zn8 Hg18]'
_cell_volume [1242.6365]
_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  0.2451  0.1694  0.0000  1
  Sm  Sm1  4  0.0000  0.1677  0.0000  1
  Sm  Sm2  4  0.0000  0.3619  0.0000  1
  Sm  Sm3  4  0.2166  0.5000  0.0000  1
  Sm  Sm4  2  0.0000  0.0000  0.0000  1
  Zn  Zn5  8  0.1430  0.4063  0.5000  1
  Hg  Hg6  8  0.1094  0.2622  0.5000  1
  Hg  Hg7  8  0.1373  0.0757  0.5000  1
  Hg  Hg8  2  0.0000  0.5000  0.5000  1
]