data_[Sm20Si8Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.6927]
_cell_length_b [7.6927]
_cell_length_c [14.6949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Sm5Si2Hg]
_chemical_formula_sum '[Sm20 Si8 Hg4]'
_cell_volume [869.6023]
_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  16  0.1746  0.3254  0.3605  1
  Sm  Sm1  4  0.0000  0.0000  0.0000  1
  Si  Si2  8  0.1183  0.3817  0.0000  1
  Hg  Hg3  4  0.0000  0.0000  0.2500  1
]