data_[V4P4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.8610]
_cell_length_b [7.7702]
_cell_length_c [7.5100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4376]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [VPO5]
_chemical_formula_sum '[V4 P4 O20]'
_cell_volume [367.3395]
_cell_formula_units_Z [4]
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
[
  V  V0  4  0.2865  0.2313  0.0378  1.0
  P  P1  4  0.4964  0.4249  0.7495  1.0
  O  O2  4  0.0542  0.1907  0.1092  1.0
  O  O3  4  0.1910  0.0374  0.8653  1.0
  O  O4  4  0.3019  0.4613  0.1280  1.0
  O  O5  4  0.4349  0.3062  0.8822  1.0
  O  O6  4  0.4798  0.1487  0.2200  1.0
]