data_[Hg2Sb1F5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1526]
_cell_length_b [5.3908]
_cell_length_c [5.8134]
_cell_angle_alpha [87.1125]
_cell_angle_beta [88.4989]
_cell_angle_gamma [82.2531]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Hg2SbF5]
_chemical_formula_sum '[Hg2 Sb1 F5]'
_cell_volume [159.7681]
_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
[
  Hg  Hg0  1  0.4286  0.3550  0.6511  1.0
  Hg  Hg1  1  0.6461  0.6348  0.3353  1.0
  Sb  Sb2  1  0.9624  0.8898  0.0519  1.0
  F  F3  1  0.1762  0.9949  0.2986  1.0
  F  F4  1  0.2124  0.0450  0.8470  1.0
  F  F5  1  0.2330  0.5881  0.0249  1.0
  F  F6  1  0.7516  0.2274  0.0348  1.0
  F  F7  1  0.8127  0.8191  0.7564  1.0
]