data_[Al4Hg4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7843]
_cell_length_b [3.3605]
_cell_length_c [8.8441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3415]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlHgH]
_chemical_formula_sum '[Al4 Hg4 H4]'
_cell_volume [196.1900]
_cell_formula_units_Z [4]
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
[
  Al  Al0  4  0.1916  0.0000  0.6174  1
  Hg  Hg1  4  0.0414  0.0000  0.1625  1
  H  H2  4  0.1440  0.5000  0.5170  1
]