data_[Sm12Hg6C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6755]
_cell_length_b [8.2737]
_cell_length_c [11.7496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm6Hg3C]
_chemical_formula_sum '[Sm12 Hg6 C2]'
_cell_volume [567.2988]
_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  0.0778  0.5530  0.7257  1.0
  Sm  Sm1  4  0.1835  0.2211  0.5646  1.0
  Sm  Sm2  4  0.3750  0.6472  0.5538  1.0
  Hg  Hg3  4  0.3138  0.6110  0.2380  1.0
  Hg  Hg4  2  0.5000  0.0000  0.5000  1.0
  C  C5  2  0.0000  0.0000  0.0000  1.0
]