data_[Mn2Pb4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [6.0732]
_cell_length_b [6.7043]
_cell_length_c [9.5522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MnPb2F6]
_chemical_formula_sum '[Mn2 Pb4 F12]'
_cell_volume [323.1497]
_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
[
  Mn  Mn0  2  0.5000  0.0000  0.5000  1.0
  Pb  Pb1  4  0.2454  0.0824  0.7592  1.0
  F  F2  4  0.1374  0.1280  0.4427  1.0
  F  F3  4  0.3424  0.6995  0.4429  1.0
  F  F4  4  0.4171  0.0603  0.2574  1.0
]