data_[Ru1O1F3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.9756]
_cell_length_b [3.0892]
_cell_length_c [17.4221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [RuOF3]
_chemical_formula_sum '[Ru1 O1 F3]'
_cell_volume [267.7873]
_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  1  0.5424  0.5000  0.4955  1
  O  O1  1  0.4006  0.0000  0.4469  1
  F  F2  1  0.2734  0.5000  0.5707  1
  F  F3  1  0.7188  0.0000  0.5553  1
  F  F4  1  0.8464  0.5000  0.4316  1
]