data_[Sm6Th2Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4075]
_cell_length_b [5.2433]
_cell_length_c [11.3532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm3ThHg6]
_chemical_formula_sum '[Sm6 Th2 Hg12]'
_cell_volume [534.2885]
_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  0.2294  0.2500  0.0047  1
  Sm  Sm1  2  0.3500  0.7500  0.7997  1
  Sm  Sm2  2  0.4901  0.2500  0.6127  1
  Th  Th3  2  0.0674  0.2500  0.3836  1
  Hg  Hg4  2  0.0614  0.7500  0.9070  1
  Hg  Hg5  2  0.1423  0.7500  0.2027  1
  Hg  Hg6  2  0.1605  0.2500  0.6873  1
  Hg  Hg7  2  0.2449  0.7500  0.5126  1
  Hg  Hg8  2  0.3540  0.2500  0.2916  1
  Hg  Hg9  2  0.4647  0.7500  0.0930  1
]