data_[K4Ba8In4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7981]
_cell_length_b [13.6056]
_cell_length_c [13.5317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KBa2InO4]
_chemical_formula_sum '[K4 Ba8 In4 O16]'
_cell_volume [699.2503]
_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  0.0993  0.7500  1.0
  Ba  Ba1  8  0.0000  0.3711  0.5317  1.0
  In  In2  4  0.0000  0.1742  0.2500  1.0
  O  O3  8  0.0000  0.2562  0.1224  1.0
  O  O4  4  0.0000  0.0000  0.0000  1.0
  O  O5  4  0.0000  0.4074  0.7500  1.0
]