data_[Sn4Hg4Sb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7367]
_cell_length_b [4.3969]
_cell_length_c [8.4497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn2Hg2Sb3]
_chemical_formula_sum '[Sn4 Hg4 Sb6]'
_cell_volume [444.2261]
_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
[
  Sn  Sn0  4  0.1302  0.0000  0.3780  1
  Hg  Hg1  4  0.1623  0.5000  0.9898  1
  Sb  Sb2  4  0.1331  0.5000  0.6083  1
  Sb  Sb3  2  0.0000  0.0000  0.0000  1
]