data_[Pa2Cu1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.7571]
_cell_length_b [5.5336]
_cell_length_c [7.1057]
_cell_angle_alpha [83.8725]
_cell_angle_beta [75.8959]
_cell_angle_gamma [78.7180]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pa2CuO8]
_chemical_formula_sum '[Pa2 Cu1 O8]'
_cell_volume [140.2354]
_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  2  0.1185  0.5922  0.7271  1
  Cu  Cu1  1  0.5000  0.0000  0.0000  1
  O  O2  2  0.1199  0.9940  0.5556  1
  O  O3  2  0.1459  0.2715  0.9358  1
  O  O4  2  0.2876  0.5687  0.3833  1
  O  O5  2  0.4824  0.1974  0.1949  1
]