data_[K4Al4H8C4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.5149]
_cell_length_b [11.8783]
_cell_length_c [5.7146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KAlH2CO5]
_chemical_formula_sum '[K4 Al4 H8 C4 O20]'
_cell_volume [442.2358]
_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  0.3459  0.2500  1.0
  Al  Al1  4  0.0000  0.0000  0.0000  1.0
  H  H2  8  0.2166  0.4195  0.7500  1.0
  C  C3  4  0.0000  0.2153  0.7500  1.0
  O  O4  8  0.0000  0.1612  0.5510  1.0
  O  O5  8  0.1939  0.0135  0.2500  1.0
  O  O6  4  0.0000  0.3236  0.7500  1.0
]