data_[Sm16Sc4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8203]
_cell_length_b [14.1116]
_cell_length_c [6.2878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm4ScHg]
_chemical_formula_sum '[Sm16 Sc4 Hg4]'
_cell_volume [739.3314]
_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  8  0.1007  0.1914  0.5525  1
  Sm  Sm1  8  0.2077  0.3970  0.8677  1
  Sc  Sc2  4  0.0000  0.3982  0.2500  1
  Hg  Hg3  4  0.0000  0.0012  0.2500  1
]