data_[Ba2Al1In1Hg6]
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
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2814]
_cell_length_b [7.4291]
_cell_length_c [7.7314]
_cell_angle_alpha [78.7496]
_cell_angle_beta [71.0103]
_cell_angle_gamma [66.8184]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2AlInHg6]
_chemical_formula_sum '[Ba2 Al1 In1 Hg6]'
_cell_volume [312.6769]
_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  0.2094  0.2470  0.2859  1.0
  Al  Al1  1  0.0000  0.0000  0.0000  1.0
  In  In2  1  0.5000  0.5000  0.5000  1.0
  Hg  Hg3  2  0.1951  0.7795  0.2793  1.0
  Hg  Hg4  2  0.2849  0.6117  0.9021  1.0
  Hg  Hg5  2  0.2889  0.2077  0.7757  1.0
]