data_[Sm2In2Hg12]
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 [Amm2]
_cell_length_a [5.1399]
_cell_length_b [7.2718]
_cell_length_c [11.0368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [SmInHg6]
_chemical_formula_sum '[Sm2 In2 Hg12]'
_cell_volume [412.5133]
_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  2  0.0000  0.0000  0.8847  1.0
  In  In1  2  0.5000  0.0000  0.6248  1.0
  Hg  Hg2  4  0.0000  0.2306  0.1478  1.0
  Hg  Hg3  4  0.5000  0.2259  0.3533  1.0
  Hg  Hg4  2  0.0000  0.0000  0.4120  1.0
  Hg  Hg5  2  0.5000  0.0000  0.0766  1.0
]