data_[Pa3Cu6H6O21]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1014]
_cell_length_b [6.1014]
_cell_length_c [18.2432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PaCu2H2O7]
_chemical_formula_sum '[Pa3 Cu6 H6 O21]'
_cell_volume [588.1560]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Cu  Cu1  6  0.0000  0.0000  0.2623  1
  H  H2  6  0.0000  0.0000  0.4483  1
  O  O3  18  0.0013  0.5006  0.6016  1
  O  O4  3  -0.0000  -0.0000  0.5000  1
]