data_[K2Pa2Cu4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pa  1.5000  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9639]
_cell_length_b [8.4311]
_cell_length_c [10.4927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KPa(CuI4)2]
_chemical_formula_sum '[K2 Pa2 Cu4 I16]'
_cell_volume [1056.9528]
_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
[
  K  K0  2  0.0000  0.0000  0.5000  1
  Pa  Pa1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.1397  0.5000  0.7724  1
  I  I3  8  0.0046  0.2497  0.2016  1
  I  I4  4  0.2054  0.5000  0.5520  1
  I  I5  4  0.2479  0.0000  0.0082  1
]