data_MgPbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   54.46
_cell_angle_beta   54.46
_cell_angle_gamma   54.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPbF6
_chemical_formula_sum   'Mg1 Pb1 F6'
_cell_volume   97.1
_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
  Mg  Mg6  1  0.0  0.0  0.0  1.0
  Pb  Pb7  1  0.0  0.0  0.88  1.0
  F  F0  1  0.71  0.01  0.7  1.0
  F  F1  1  0.13  0.48  0.7  1.0
  F  F2  1  0.15  0.51  0.7  1.0
  F  F3  1  0.85  0.49  0.06  1.0
  F  F4  1  0.87  0.52  0.06  1.0
  F  F5  1  0.29  0.99  0.06  1.0

data_MgPbF6
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   5.4
_cell_angle_alpha   62.77
_cell_angle_beta   62.77
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPbF6
_chemical_formula_sum   'Mg1 Pb1 F6'
_cell_volume   97.1
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.12  0.88  1.0
  F  F2  1  0.01  0.94  0.34  1.0
  F  F3  1  0.48  0.94  0.45  1.0
  F  F4  1  0.49  0.3  0.36  1.0
  F  F5  1  0.51  0.94  0.4  1.0
  F  F6  1  0.52  0.3  0.31  1.0
  F  F7  1  0.99  0.3  0.42  1.0

Mg Pb F F F F F F
MgPbF2(F2)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two hydrogen fluoride hydrogen fluoride molecules and one MgPbF2 cluster. In the MgPbF2 cluster, Mg(1) is bonded in a 2-coordinate geometry to one Pb(1) and one F(6) atom. The Mg(1)-Pb(1) bond length is 0.64 Å. The Mg(1)-F(6) bond length is 1.73 Å. Pb(1) is bonded in a distorted single-bond geometry to one Mg(1) and one F(1) atom. The Pb(1)-F(1) bond length is 2.23 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Pb(1) atom. In the second F site, F(6) is bonded in a single-bond geometry to one Mg(1) atom.