data_[Ba4Sn8Hg10]
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 [13.6911]
_cell_length_b [6.8518]
_cell_length_c [9.9437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.7191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Sn4Hg5]
_chemical_formula_sum '[Ba4 Sn8 Hg10]'
_cell_volume [706.9916]
_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  0.2291  0.5000  0.7913  1
  Sn  Sn1  4  0.1391  0.5000  0.0750  1
  Sn  Sn2  4  0.2324  0.5000  0.4387  1
  Hg  Hg3  8  0.0022  0.2167  0.2281  1
  Hg  Hg4  2  0.0000  0.0000  0.5000  1
]