data_[Zr8Hg4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.6496]
_cell_length_b [10.6085]
_cell_length_c [5.3648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2HgH]
_chemical_formula_sum '[Zr8 Hg4 H4]'
_cell_volume [275.8510]
_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
[
  Zr  Zr0  8  0.1642  0.3762  0.5911  1.0
  Hg  Hg1  4  0.0000  0.1212  0.7500  1.0
  H  H2  4  0.0000  0.2475  0.2500  1.0
]