data_[Yb2V2O6]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2642]
_cell_length_b [5.3619]
_cell_length_c [5.3816]
_cell_angle_alpha [60.2022]
_cell_angle_beta [60.7663]
_cell_angle_gamma [89.6938]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [YbVO3]
_chemical_formula_sum '[Yb2 V2 O6]'
_cell_volume [109.2323]
_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  0.2640  0.7669  0.4898  1
  V  V1  1  0.0000  0.0000  0.0000  1
  V  V2  1  0.5000  0.5000  0.0000  1
  O  O3  2  0.1679  0.6550  0.0752  1
  O  O4  2  0.2879  0.1972  0.5002  1
  O  O5  2  0.3027  0.1940  0.9913  1
]