data_[Ba2Na1Hg3Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.9605]
_cell_length_b [4.9605]
_cell_length_c [13.1787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2NaHg3Sb4]
_chemical_formula_sum '[Ba2 Na1 Hg3 Sb4]'
_cell_volume [324.2855]
_cell_formula_units_Z [1]
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  0.5000  0.7579  1.0
  Na  Na1  1  0.5000  0.5000  0.5000  1.0
  Hg  Hg2  2  0.0000  0.5000  0.1358  1.0
  Hg  Hg3  1  0.0000  0.0000  0.5000  1.0
  Sb  Sb4  2  0.0000  0.5000  0.3501  1.0
  Sb  Sb5  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb6  1  0.5000  0.5000  0.0000  1.0
]