data_[Ru4F12]
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 [Amm2]
_cell_length_a [4.0261]
_cell_length_b [17.4167]
_cell_length_c [30.1667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [RuF3]
_chemical_formula_sum '[Ru4 F12]'
_cell_volume [2115.3068]
_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
[
  Ru  Ru0  2  0.0000  0.0000  0.5237  1
  Ru  Ru1  2  0.5000  0.0000  0.4809  1
  F  F2  4  0.0000  0.1050  0.5333  1
  F  F3  4  0.5000  0.1079  0.4773  1
  F  F4  2  0.5000  0.0000  0.4199  1
  F  F5  2  0.5000  0.0000  0.5540  1
]