data_[Mn3F8]
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 [P6mm]
_cell_length_a [7.0116]
_cell_length_b [7.0116]
_cell_length_c [17.5886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Mn3F8]
_chemical_formula_sum '[Mn3 F8]'
_cell_volume [748.8460]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.5080  1
  Mn  Mn1  1  0.0000  0.0000  0.4656  1
  F  F2  6  0.1910  0.3820  0.4655  1
  F  F3  2  0.3333  0.6667  0.6127  1
]