data_[Ru5F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9361]
_cell_length_b [4.9361]
_cell_length_c [4.4336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Ru5F]
_chemical_formula_sum '[Ru5 F1]'
_cell_volume [93.5531]
_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
[
  Ru  Ru0  3  0.0000  0.5000  0.5000  1
  Ru  Ru1  2  0.3333  0.6667  0.0000  1
  F  F2  1  0.0000  0.0000  0.0000  1
]