data_[Sm4Ag12Hg8]
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 [C2/m]
_cell_length_a [15.4737]
_cell_length_b [4.2904]
_cell_length_c [9.5039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3350]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmAg3Hg2]
_chemical_formula_sum '[Sm4 Ag12 Hg8]'
_cell_volume [533.1166]
_cell_formula_units_Z [4]
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  0.1128  0.0000  0.9731  1.0
  Ag  Ag1  4  0.0714  0.0000  0.4349  1.0
  Ag  Ag2  4  0.0796  0.5000  0.6772  1.0
  Ag  Ag3  4  0.2474  0.5000  0.5981  1.0
  Hg  Hg4  4  0.0742  0.5000  0.2173  1.0
  Hg  Hg5  4  0.2300  0.0000  0.7939  1.0
]