data_[V4P4O16]
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 [5.7958]
_cell_length_b [9.2839]
_cell_length_c [5.3815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [VPO4]
_chemical_formula_sum '[V4 P4 O16]'
_cell_volume [249.5883]
_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  0.0313  0.1183  0.7761  1
  P  P1  4  0.0019  0.3713  0.2471  1
  O  O2  4  0.0344  0.2827  0.0299  1
  O  O3  4  0.2440  0.0313  0.5965  1
  O  O4  4  0.2641  0.4620  0.4079  1
  O  O5  4  0.4242  0.2150  0.9426  1
]