data_[Ru4S4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0164]
_cell_length_b [3.3629]
_cell_length_c [5.5443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RuSF]
_chemical_formula_sum '[Ru4 S4 F4]'
_cell_volume [209.6429]
_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  4  0.2313  0.0000  0.7703  1.0
  S  S1  4  0.1205  0.5000  0.8325  1.0
  F  F2  4  0.1627  0.0000  0.3620  1.0
]