data_[Ba4Sn10Hg2]
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 [Imm2]
_cell_length_a [6.4986]
_cell_length_b [8.2153]
_cell_length_c [10.4835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ba2Sn5Hg]
_chemical_formula_sum '[Ba4 Sn10 Hg2]'
_cell_volume [559.6961]
_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  2  0.0000  0.0000  0.1559  1
  Ba  Ba1  2  0.0000  0.0000  0.7345  1
  Sn  Sn2  8  0.2398  0.3185  0.9384  1
  Sn  Sn3  2  0.0000  0.5000  0.4287  1
  Hg  Hg4  2  0.0000  0.5000  0.1507  1
]