data_[Ba10Na4Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [8.3207]
_cell_length_b [15.4794]
_cell_length_c [6.1824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ba5Na2Hg]
_chemical_formula_sum '[Ba10 Na4 Hg2]'
_cell_volume [796.2831]
_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  0.1210  0.2866  0.0000  1
  Ba  Ba1  4  0.1627  0.5923  0.5000  1
  Ba  Ba2  2  0.0000  0.0000  0.0000  1
  Na  Na3  4  0.1275  0.8518  0.5000  1
  Hg  Hg4  2  0.0000  0.5000  0.0000  1
]