data_[Sm4Dy2Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9538]
_cell_length_b [5.0479]
_cell_length_c [7.2953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2DyHg8]
_chemical_formula_sum '[Sm4 Dy2 Hg16]'
_cell_volume [552.1156]
_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  0.2119  0.0000  0.6565  1.0
  Dy  Dy1  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg2  4  0.0221  0.0000  0.7289  1.0
  Hg  Hg3  4  0.0952  0.5000  0.4497  1.0
  Hg  Hg4  4  0.1513  0.0000  0.1703  1.0
  Hg  Hg5  4  0.1683  0.5000  0.8956  1.0
]