data_[Be2Hg1H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.4964]
_cell_length_b [5.0593]
_cell_length_c [8.8154]
_cell_angle_alpha [101.1189]
_cell_angle_beta [96.1256]
_cell_angle_gamma [90.2016]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Be2HgH6]
_chemical_formula_sum '[Be2 Hg1 H6]'
_cell_volume [108.5887]
_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
[
  Be  Be0  2  0.4036  0.9229  0.7485  1
  Hg  Hg1  1  0.0000  0.0000  0.0000  1
  H  H2  2  0.1353  0.1088  0.3536  1
  H  H3  2  0.3498  0.3733  0.6242  1
  H  H4  2  0.3912  0.4245  0.7117  1
]