data_[Ba8Ag4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3718]
_cell_length_b [4.8926]
_cell_length_c [13.0733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2AgHg2]
_chemical_formula_sum '[Ba8 Ag4 Hg8]'
_cell_volume [705.0377]
_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
[
  Ba  Ba0  4  0.0344  0.0000  0.3519  1.0
  Ba  Ba1  4  0.1912  0.0000  0.1132  1.0
  Ag  Ag2  4  0.2249  0.5000  0.3276  1.0
  Hg  Hg3  4  0.0187  0.5000  0.8804  1.0
  Hg  Hg4  4  0.1435  0.5000  0.5765  1.0
]