data_[K6Cu4H14]
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 [I4/mmm]
_cell_length_a [3.8212]
_cell_length_b [3.8212]
_cell_length_c [20.5435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [K3Cu2H7]
_chemical_formula_sum '[K6 Cu4 H14]'
_cell_volume [299.9742]
_cell_formula_units_Z [2]
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  0.0000  0.3231  1.0
  K  K1  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  4  0.0000  0.0000  0.0881  1.0
  H  H3  8  0.0000  0.5000  0.0866  1.0
  H  H4  4  0.0000  0.0000  0.1712  1.0
  H  H5  2  0.0000  0.0000  0.0000  1.0
]