data_[Ba2Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4302]
_cell_length_b [5.4783]
_cell_length_c [6.9191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaHg5]
_chemical_formula_sum '[Ba2 Hg10]'
_cell_volume [356.7794]
_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  0.0000  0.0000  1.0
  Hg  Hg1  4  0.1511  0.5000  0.7279  1.0
  Hg  Hg2  4  0.1815  0.5000  0.2742  1.0
  Hg  Hg3  2  0.0000  0.0000  0.5000  1.0
]