data_[Mn4F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-42m]
_cell_length_a [5.2840]
_cell_length_b [5.2840]
_cell_length_c [5.2604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [111]
_chemical_formula_structural [MnF2]
_chemical_formula_sum '[Mn4 F8]'
_cell_volume [146.8740]
_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  2  0.0000  0.5000  0.0000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.5000  1.0
  Mn  Mn2  1  0.5000  0.5000  0.5000  1.0
  F  F3  4  0.2232  0.2232  0.2599  1.0
  F  F4  4  0.2819  0.2819  0.7691  1.0
]