data_[Ru4Se6F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.5747]
_cell_length_b [3.0618]
_cell_length_c [20.3366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ru2Se3F2]
_chemical_formula_sum '[Ru4 Se6 F4]'
_cell_volume [845.2588]
_cell_formula_units_Z [2]
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  0.0322  0.0000  0.4306  1
  Ru  Ru1  2  0.1232  0.0000  0.5586  1
  Se  Se2  2  0.1727  0.5000  0.4721  1
  Se  Se3  2  0.2733  0.0000  0.6087  1
  Se  Se4  2  0.4153  0.0000  0.4723  1
  F  F5  2  0.0052  0.0000  0.6100  1
  F  F6  2  0.0986  0.0000  0.3476  1
]