data_[Sm4Mg2Hg6]
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 [P-3m1]
_cell_length_a [5.1723]
_cell_length_b [5.1723]
_cell_length_c [13.0867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sm2MgHg3]
_chemical_formula_sum '[Sm4 Mg2 Hg6]'
_cell_volume [303.2004]
_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  0.3333  0.6667  0.1823  1
  Sm  Sm1  1  0.0000  0.0000  0.0000  1
  Sm  Sm2  1  0.0000  0.0000  0.5000  1
  Mg  Mg3  2  0.3333  0.6667  0.6611  1
  Hg  Hg4  2  0.0000  0.0000  0.2564  1
  Hg  Hg5  2  0.3333  0.6667  0.4203  1
  Hg  Hg6  2  0.3333  0.6667  0.9114  1
]