data_[Pa4Cu4I4O16]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4382]
_cell_length_b [6.4956]
_cell_length_c [6.0071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaCuIO4]
_chemical_formula_sum '[Pa4 Cu4 I4 O16]'
_cell_volume [445.6080]
_cell_formula_units_Z [4]
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  4  0.2205  0.5000  0.1341  1
  Cu  Cu1  4  0.1137  0.5000  0.6125  1
  I  I2  4  0.0643  0.0000  0.2099  1
  O  O3  8  0.1707  0.2907  0.8546  1
  O  O4  4  0.0480  0.5000  0.3114  1
  O  O5  4  0.2416  0.0000  0.5154  1
]