data_[Zr8Hg4H2]
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 [P2_1/m]
_cell_length_a [5.7579]
_cell_length_b [5.7688]
_cell_length_c [8.7584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr4Hg2H]
_chemical_formula_sum '[Zr8 Hg4 H2]'
_cell_volume [276.2721]
_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
[
  Zr  Zr0  4  0.2281  0.0016  0.6900  1.0
  Zr  Zr1  2  0.1542  0.7500  0.0532  1.0
  Zr  Zr2  2  0.2663  0.2500  0.3183  1.0
  Hg  Hg3  2  0.2959  0.7500  0.3977  1.0
  Hg  Hg4  2  0.3815  0.2500  0.0174  1.0
  H  H5  2  0.0920  0.7500  0.8074  1.0
]