data_[Sm12Co2Hg6]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5829]
_cell_length_b [8.8737]
_cell_length_c [12.5737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3006]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm6CoHg3]
_chemical_formula_sum '[Sm12 Co2 Hg6]'
_cell_volume [567.7241]
_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  0.0167  0.6942  0.0677  1.0
  Sm  Sm1  4  0.2913  0.0187  0.2325  1.0
  Sm  Sm2  4  0.3566  0.6495  0.4238  1.0
  Co  Co3  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  4  0.1762  0.1359  0.7323  1.0
  Hg  Hg5  2  0.5000  0.0000  0.5000  1.0
]