data_[K2In2Se4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.8525]
_cell_length_b [5.2082]
_cell_length_c [8.7559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2079]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KIn(SeO4)2]
_chemical_formula_sum '[K2 In2 Se4 O16]'
_cell_volume [403.6046]
_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  0.9635  0.0000  1.0
  In  In1  2  0.0000  0.0114  0.5000  1.0
  Se  Se2  4  0.1885  0.5000  0.7204  1.0
  O  O3  4  0.0575  0.7234  0.6742  1.0
  O  O4  4  0.1346  0.1176  0.2984  1.0
  O  O5  4  0.1651  0.4197  0.8998  1.0
  O  O6  4  0.1801  0.2520  0.5969  1.0
]