data_[Pa1Zn1B2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  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 [4.8468]
_cell_length_b [4.8468]
_cell_length_c [6.6737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [PaZn(BO4)2]
_chemical_formula_sum '[Pa1 Zn1 B2 O8]'
_cell_volume [135.7704]
_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
[
  Pa  Pa0  1  0.0000  0.0000  0.5000  1
  Zn  Zn1  1  0.0000  0.0000  0.0000  1
  B  B2  2  0.3333  0.6667  0.7078  1
  O  O3  6  0.1689  0.3378  0.7737  1
  O  O4  2  0.3333  0.6667  0.4878  1
]