data_[Ba6Ga4Hg4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8472]
_cell_length_b [4.4596]
_cell_length_c [9.5339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(GaHg)2]
_chemical_formula_sum '[Ba6 Ga4 Hg4]'
_cell_volume [493.9669]
_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  4  0.1824  0.5000  0.6466  1
  Ba  Ba1  2  0.0000  0.5000  0.0000  1
  Ga  Ga2  4  0.1999  0.0000  0.9459  1
  Hg  Hg3  4  0.0262  0.0000  0.3271  1
]