data_[K24Cu16]
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
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [9.3352]
_cell_length_b [16.6862]
_cell_length_c [9.5445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [K3Cu2]
_chemical_formula_sum '[K24 Cu16]'
_cell_volume [1486.7403]
_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  16  0.1145  0.1118  0.4620  1
  K  K1  8  0.0000  0.0000  0.8541  1
  Cu  Cu2  16  0.0098  0.3063  0.3610  1
]