data_[Sm12Co4Hg2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1343]
_cell_length_b [4.0481]
_cell_length_c [9.4670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0039]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Co2HgI3]
_chemical_formula_sum '[Sm12 Co4 Hg2 I6]'
_cell_volume [725.0615]
_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  4  0.0373  0.0000  0.2622  1.0
  Sm  Sm1  4  0.1647  0.5000  0.1531  1.0
  Sm  Sm2  4  0.1847  0.5000  0.5597  1.0
  Co  Co3  4  0.1734  0.0000  0.3527  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
  I  I5  4  0.1638  0.0000  0.8396  1.0
  I  I6  2  0.0000  0.5000  0.5000  1.0
]