data_[Mn4Sn4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [7.3815]
_cell_length_b [7.3815]
_cell_length_c [7.2160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [MnSnF4]
_chemical_formula_sum '[Mn4 Sn4 F16]'
_cell_volume [393.1730]
_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  0.0000  0.0000  0.9939  1.0
  Sn  Sn1  4  0.0000  0.0000  0.4952  1.0
  F  F2  8  0.0000  0.2983  0.0274  1.0
  F  F3  8  0.0000  0.3175  0.4781  1.0
]