data_[Mg2Pb4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6968]
_cell_length_b [6.5776]
_cell_length_c [9.4290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MgPb2F6]
_chemical_formula_sum '[Mg2 Pb4 F12]'
_cell_volume [298.9073]
_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
[
  Mg  Mg0  2  0.5000  0.0000  0.5000  1.0
  Pb  Pb1  4  0.2226  0.0806  0.7509  1.0
  F  F2  4  0.1559  0.1387  0.4596  1.0
  F  F3  4  0.2876  0.7344  0.4205  1.0
  F  F4  4  0.4076  0.0644  0.2689  1.0
]