data_[Ba2Ga4Hg2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.7683]
_cell_length_b [4.8198]
_cell_length_c [10.9537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaGa2HgGe]
_chemical_formula_sum '[Ba2 Ga4 Hg2 Ge2]'
_cell_volume [251.7441]
_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  2  0.0000  0.5000  0.5587  1.0
  Ga  Ga1  2  0.0000  0.0000  0.8064  1.0
  Ga  Ga2  2  0.0000  0.5000  0.9363  1.0
  Hg  Hg3  2  0.0000  0.0000  0.3134  1.0
  Ge  Ge4  2  0.0000  0.5000  0.1730  1.0
]