data_[Ba4Sn6Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [12.1413]
_cell_length_b [5.0245]
_cell_length_c [7.9671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Sn3Hg2]
_chemical_formula_sum '[Ba4 Sn6 Hg4]'
_cell_volume [453.4464]
_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
[
  Ba  Ba0  4  0.1436  0.0000  0.7835  1.0
  Sn  Sn1  4  0.0990  0.5000  0.4320  1.0
  Sn  Sn2  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg3  4  0.1630  0.0000  0.2583  1.0
]