data_[K1In1S2O8]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0139]
_cell_length_b [5.1191]
_cell_length_c [8.4784]
_cell_angle_alpha [73.5162]
_cell_angle_beta [75.6231]
_cell_angle_gamma [62.3489]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KIn(SO4)2]
_chemical_formula_sum '[K1 In1 S2 O8]'
_cell_volume [183.0853]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  In  In1  1  0.5000  0.5000  0.5000  1.0
  S  S2  2  0.1953  0.2245  0.2915  1.0
  O  O3  2  0.1422  0.5851  0.7109  1.0
  O  O4  2  0.2418  0.9007  0.3290  1.0
  O  O5  2  0.2892  0.2734  0.4298  1.0
  O  O6  2  0.3538  0.2973  0.1283  1.0
]