data_[Sm16Tm4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8600]
_cell_length_b [14.0841]
_cell_length_c [6.4264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm4TmHg]
_chemical_formula_sum '[Sm16 Tm4 Hg4]'
_cell_volume [757.8526]
_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  0.0992  0.1894  0.0472  1
  Sm  Sm1  8  0.2157  0.3841  0.3756  1
  Tm  Tm2  4  0.0000  0.4073  0.7500  1
  Hg  Hg3  4  0.0000  0.0012  0.7500  1
]