data_[Yb2V2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  V  1.6300  1.3500  0.7775
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9886]
_cell_length_b [5.9482]
_cell_length_c [5.3772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YbVF6]
_chemical_formula_sum '[Yb2 V2 F12]'
_cell_volume [242.6408]
_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
[
  Yb  Yb0  2  0.0000  0.0000  0.0000  1.0
  V  V1  2  0.0000  0.5000  0.5000  1.0
  F  F2  8  0.0601  0.2732  0.7852  1.0
  F  F3  4  0.2299  0.5000  0.5822  1.0
]