data_[Cs6Ru2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ru  2.2000  1.3000  0.6610
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6552]
_cell_length_b [6.6591]
_cell_length_c [7.0168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3RuF6]
_chemical_formula_sum '[Cs6 Ru2 F12]'
_cell_volume [453.5730]
_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
[
  Cs  Cs0  4  0.2401  0.0000  0.7319  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru2  2  0.0000  0.5000  0.5000  1.0
  F  F3  8  0.0459  0.2844  0.3454  1.0
  F  F4  4  0.2001  0.5000  0.7769  1.0
]