data_[K4Be8In4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Be  1.5700  1.0500  0.5900
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7974]
_cell_length_b [12.4597]
_cell_length_c [18.3265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KBe2InI6]
_chemical_formula_sum '[K4 Be8 In4 I24]'
_cell_volume [1965.4096]
_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  0.0837  0.7500  1.0
  Be  Be1  8  0.2121  0.1688  0.1662  1.0
  In  In2  4  0.0000  0.4229  0.2500  1.0
  I  I3  8  0.1780  0.3301  0.1040  1.0
  I  I4  8  0.1914  0.0070  0.1042  1.0
  I  I5  8  0.2291  0.3318  0.7037  1.0
]