data_[Ba1Pa2B1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P-3m1]
_cell_length_a [4.8716]
_cell_length_b [4.8716]
_cell_length_c [7.7403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [BaPa2BO8]
_chemical_formula_sum '[Ba1 Pa2 B1 O8]'
_cell_volume [159.0841]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1
  Pa  Pa1  2  0.3333  0.6667  0.8627  1
  B  B2  1  0.0000  0.0000  0.0000  1
  O  O3  6  0.1622  0.3243  0.1287  1
  O  O4  2  0.3333  0.6667  0.6089  1
]