data_[Li6Fe2Cu4O12]
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 [C2/m]
_cell_length_a [12.8791]
_cell_length_b [2.9527]
_cell_length_c [5.9032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Fe(CuO3)2]
_chemical_formula_sum '[Li6 Fe2 Cu4 O12]'
_cell_volume [218.1545]
_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  4  0.1709  0.0000  0.8333  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Fe  Fe2  2  0.0000  0.5000  0.0000  1.0
  Cu  Cu3  4  0.1667  0.0000  0.3343  1.0
  O  O4  4  0.0026  0.0000  0.2411  1.0
  O  O5  4  0.1638  0.5000  0.0950  1.0
  O  O6  4  0.1723  0.5000  0.5710  1.0
]