data_[Mg4Pb4F16]
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 [Ima2]
_cell_length_a [12.1822]
_cell_length_b [5.0834]
_cell_length_c [5.6887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [MgPbF4]
_chemical_formula_sum '[Mg4 Pb4 F16]'
_cell_volume [352.2882]
_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
[
  Mg  Mg0  4  0.0000  0.0000  0.1596  1.0
  Pb  Pb1  4  0.2500  0.0165  0.8039  1.0
  F  F2  8  0.0633  0.2482  0.9012  1.0
  F  F3  8  0.1455  0.6750  0.6201  1.0
]