data_[Mn4Pb4F16]
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 [C2/c]
_cell_length_a [12.6113]
_cell_length_b [5.4289]
_cell_length_c [5.7223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6737]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnPbF4]
_chemical_formula_sum '[Mn4 Pb4 F16]'
_cell_volume [366.5527]
_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
[
  Mn  Mn0  4  0.2500  0.2500  0.0000  1.0
  Pb  Pb1  4  0.0000  0.2627  0.2500  1.0
  F  F2  8  0.0976  0.0803  0.9805  1.0
  F  F3  8  0.1720  0.4521  0.6541  1.0
]