data_[Ba2Ag1Sn2Hg1]
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
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.8950]
_cell_length_b [4.8950]
_cell_length_c [9.8919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ba2AgSn2Hg]
_chemical_formula_sum '[Ba2 Ag1 Sn2 Hg1]'
_cell_volume [205.2677]
_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  0.0000  0.2588  1
  Ag  Ag1  1  0.6667  0.3333  0.5000  1
  Sn  Sn2  1  0.3333  0.6667  0.5000  1
  Sn  Sn3  1  0.6667  0.3333  0.0000  1
  Hg  Hg4  1  0.3333  0.6667  0.0000  1
]