data_[Sm24In4Hg8]
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 [10.1829]
_cell_length_b [10.3210]
_cell_length_c [10.5497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm6InHg2]
_chemical_formula_sum '[Sm24 In4 Hg8]'
_cell_volume [1108.7479]
_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  0.0000  0.2772  0.3237  1.0
  Sm  Sm1  8  0.1797  0.2700  0.0000  1.0
  Sm  Sm2  8  0.2003  0.0000  0.2494  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
  In  In4  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg5  4  0.0000  0.5000  0.1375  1.0
  Hg  Hg6  4  0.1490  0.5000  0.5000  1.0
]