data_[Sm16In4Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.4177]
_cell_length_b [7.4442]
_cell_length_c [16.7487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm8In2Hg]
_chemical_formula_sum '[Sm16 In4 Hg2]'
_cell_volume [675.4847]
_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  0.0000  0.2297  0.3611  1
  Sm  Sm1  4  0.0000  0.0000  0.1911  1
  Sm  Sm2  4  0.0000  0.2601  0.0000  1
  In  In3  4  0.0000  0.5000  0.1875  1
  Hg  Hg4  2  0.0000  0.5000  0.5000  1
]