data_[Li4Fe6Cu2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [5.7627]
_cell_length_b [5.7627]
_cell_length_c [9.5856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Li2Fe3CuO8]
_chemical_formula_sum '[Li4 Fe6 Cu2 O16]'
_cell_volume [275.6766]
_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
[
  Li  Li0  2  0.0000  0.0000  0.4971  1
  Li  Li1  2  0.3333  0.6667  0.8951  1
  Fe  Fe2  6  0.1686  0.8314  0.2134  1
  Cu  Cu3  2  0.3333  0.6667  0.4888  1
  O  O4  6  0.0339  0.5170  0.3311  1
  O  O5  6  0.1611  0.8389  0.6061  1
  O  O6  2  0.0000  0.0000  0.3114  1
  O  O7  2  0.3333  0.6667  0.1073  1
]