data_[Ba2Al4Sn1Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.7635]
_cell_length_b [4.7635]
_cell_length_c [11.4407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2Al4SnHg3]
_chemical_formula_sum '[Ba2 Al4 Sn1 Hg3]'
_cell_volume [259.5951]
_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  0.7519  1
  Al  Al1  2  0.0000  0.5000  0.3637  1
  Al  Al2  1  0.0000  0.0000  0.0000  1
  Al  Al3  1  0.5000  0.5000  0.0000  1
  Sn  Sn4  1  0.5000  0.5000  0.5000  1
  Hg  Hg5  2  0.0000  0.5000  0.1276  1
  Hg  Hg6  1  0.0000  0.0000  0.5000  1
]