data_[Ba2Hg4H2]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8724]
_cell_length_b [4.5077]
_cell_length_c [8.4677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaHg2H]
_chemical_formula_sum '[Ba2 Hg4 H2]'
_cell_volume [216.1971]
_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  0.3732  0.2500  0.2857  1.0
  Hg  Hg1  2  0.0672  0.2500  0.6382  1.0
  Hg  Hg2  2  0.2133  0.7500  0.9465  1.0
  H  H3  2  0.4192  0.2500  0.6037  1.0
]