data_[Sm8Sn4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5725]
_cell_length_b [4.6373]
_cell_length_c [11.2839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1674]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2SnHg2]
_chemical_formula_sum '[Sm8 Sn4 Hg8]'
_cell_volume [548.0645]
_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  0.0066  0.0000  0.3292  1.0
  Sm  Sm1  4  0.1798  0.0000  0.0971  1.0
  Sn  Sn2  4  0.2155  0.5000  0.3141  1.0
  Hg  Hg3  4  0.0479  0.5000  0.8911  1.0
  Hg  Hg4  4  0.1408  0.5000  0.5468  1.0
]