data_[Ba1Pa2Cr1O8]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5561]
_cell_length_b [5.2319]
_cell_length_c [7.2662]
_cell_angle_alpha [97.0297]
_cell_angle_beta [96.7981]
_cell_angle_gamma [91.7625]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaPa2CrO8]
_chemical_formula_sum '[Ba1 Pa2 Cr1 O8]'
_cell_volume [170.5134]
_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  0.4231  0.4749  0.2413  1
  Cr  Cr2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.0530  0.6898  0.7788  1
  O  O4  2  0.2009  0.8279  0.1805  1
  O  O5  2  0.3381  0.2527  0.9805  1
  O  O6  2  0.4904  0.2695  0.4944  1
]