data_[Pa1Cr2B1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Cr  1.6600  1.4000  0.9400
  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 [5.6044]
_cell_length_b [5.6044]
_cell_length_c [5.3134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [PaCr2BO8]
_chemical_formula_sum '[Pa1 Cr2 B1 O8]'
_cell_volume [144.5338]
_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
  Cr  Cr1  2  0.3333  0.6667  0.0552  1
  B  B2  1  0.0000  0.0000  0.0000  1
  O  O3  6  0.1490  0.2980  0.1922  1
  O  O4  2  0.3333  0.6667  0.7494  1
]