data_[Sm8Sc4Hg24]
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 [14.3922]
_cell_length_b [11.6952]
_cell_length_c [5.4119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm2ScHg6]
_chemical_formula_sum '[Sm8 Sc4 Hg24]'
_cell_volume [897.0262]
_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  0.1675  0.3742  0.0813  1
  Sc  Sc1  4  0.0000  0.1214  0.2500  1
  Hg  Hg2  8  0.0565  0.3677  0.5272  1
  Hg  Hg3  8  0.1054  0.1210  0.8048  1
  Hg  Hg4  8  0.2137  0.1239  0.3621  1
]