data_[Sm12Ho2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8568]
_cell_length_b [3.7543]
_cell_length_c [12.0931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6HoHg2]
_chemical_formula_sum '[Sm12 Ho2 Hg4]'
_cell_volume [552.2543]
_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  0.0203  0.0000  0.3371  1.0
  Sm  Sm1  4  0.1866  0.5000  0.8765  1.0
  Sm  Sm2  4  0.1901  0.5000  0.5894  1.0
  Ho  Ho3  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  4  0.1382  0.5000  0.1964  1.0
]