data_[Sm12Co4Hg2Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3264]
_cell_length_b [3.8781]
_cell_length_c [8.7075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Co2HgCl3]
_chemical_formula_sum '[Sm12 Co4 Hg2 Cl6]'
_cell_volume [658.4318]
_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  0.0427  0.0000  0.2860  1.0
  Sm  Sm1  4  0.1625  0.5000  0.1289  1.0
  Sm  Sm2  4  0.1887  0.5000  0.5843  1.0
  Co  Co3  4  0.1742  0.0000  0.3534  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  4  0.1816  0.0000  0.8559  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]