data_[Sm2Mg22Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9212]
_cell_length_b [14.3751]
_cell_length_c [7.7158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmMg11Hg]
_chemical_formula_sum '[Sm2 Mg22 Hg2]'
_cell_volume [610.3190]
_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  2  0.0000  0.0000  0.0000  1
  Mg  Mg1  8  0.1050  0.3949  0.2144  1
  Mg  Mg2  8  0.1764  0.1738  0.3530  1
  Mg  Mg3  4  0.2500  0.2500  0.0000  1
  Mg  Mg4  2  0.0000  0.0000  0.5000  1
  Hg  Hg5  2  0.0000  0.5000  0.5000  1
]