data_[Pa2Cu6Cl12O4]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9804]
_cell_length_b [6.6064]
_cell_length_c [7.6759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaCu3(Cl3O)2]
_chemical_formula_sum '[Pa2 Cu6 Cl12 O4]'
_cell_volume [553.3813]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.5000  1
  Cu  Cu1  4  0.2500  0.2500  0.0000  1
  Cu  Cu2  2  0.0000  0.5000  0.0000  1
  Cl  Cl3  8  0.1445  0.2597  0.6490  1
  Cl  Cl4  4  0.0938  0.0000  0.2032  1
  O  O5  4  0.1667  0.5000  0.0174  1
]