data_[K16Cu8H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.5679]
_cell_length_b [11.3693]
_cell_length_c [13.0620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [K2CuH3]
_chemical_formula_sum '[K16 Cu8 H24]'
_cell_volume [826.8586]
_cell_formula_units_Z [8]
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  8  0.0000  0.0531  0.8472  1
  K  K1  8  0.0000  0.1525  0.4243  1
  Cu  Cu2  8  0.0000  0.2392  0.6708  1
  H  H3  8  0.0000  0.0974  0.6345  1
  H  H4  8  0.0000  0.1664  0.0738  1
  H  H5  8  0.2500  0.2401  0.2500  1
]