data_[Mn8F8]
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 [P4/m]
_cell_length_a [9.0576]
_cell_length_b [9.0576]
_cell_length_c [3.2482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [MnF]
_chemical_formula_sum '[Mn8 F8]'
_cell_volume [266.4849]
_cell_formula_units_Z [8]
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  0.1219  0.3404  0.0000  1
  Mn  Mn1  4  0.2909  0.5921  0.5000  1
  F  F2  4  0.1079  0.6016  0.0000  1
  F  F3  4  0.1377  0.2021  0.5000  1
]