data_[Pa2V4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1451]
_cell_length_b [6.0264]
_cell_length_c [5.5994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaV2O8]
_chemical_formula_sum '[Pa2 V4 O16]'
_cell_volume [362.9848]
_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
[
  Pa  Pa0  2  0.0000  0.0000  0.0000  1
  V  V1  4  0.1868  0.0000  0.6772  1
  O  O2  8  0.1126  0.2061  0.8089  1
  O  O3  4  0.1416  0.0000  0.3448  1
  O  O4  4  0.1577  0.5000  0.2095  1
]