data_[Sm6Ag6Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.9698]
_cell_length_b [5.9698]
_cell_length_c [10.8575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Sm6Ag6Hg]
_chemical_formula_sum '[Sm6 Ag6 Hg1]'
_cell_volume [335.1032]
_cell_formula_units_Z [1]
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  0.3297  1
  Sm  Sm1  2  0.3333  0.6667  0.0000  1
  Sm  Sm2  2  0.3333  0.6667  0.5000  1
  Ag  Ag3  6  0.0000  0.5000  0.2420  1
  Hg  Hg4  1  0.0000  0.0000  0.0000  1
]