data_[Pa2B2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5109]
_cell_length_b [7.1306]
_cell_length_c [3.8158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4366]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaBO6]
_chemical_formula_sum '[Pa2 B2 O12]'
_cell_volume [149.2734]
_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  0.5000  0.5000  1
  B  B1  2  0.0000  0.0000  0.0000  1
  O  O2  8  0.0725  0.1721  0.3494  1
  O  O3  4  0.2315  0.5000  0.0411  1
]