data_[K4Pa4In4O16]
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
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.1199]
_cell_length_b [7.1347]
_cell_length_c [10.4688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [KPaInO4]
_chemical_formula_sum '[K4 Pa4 In4 O16]'
_cell_volume [531.8009]
_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
[
  K  K0  4  0.0000  0.2500  0.8602  1
  Pa  Pa1  4  0.0000  0.0000  0.5000  1
  In  In2  4  0.2500  0.2500  0.2500  1
  O  O3  8  0.0000  0.0407  0.2945  1
  O  O4  8  0.1888  0.2500  0.5030  1
]