data_[Li2Fe1Cu1O4]
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 [P2/m]
_cell_length_a [5.0943]
_cell_length_b [2.9616]
_cell_length_c [5.1583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3451]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2FeCuO4]
_chemical_formula_sum '[Li2 Fe1 Cu1 O4]'
_cell_volume [73.4298]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Li  Li1  1  0.5000  0.5000  0.0000  1.0
  Fe  Fe2  1  0.0000  0.5000  0.5000  1.0
  Cu  Cu3  1  0.5000  0.0000  0.5000  1.0
  O  O4  2  0.2430  0.0000  0.7333  1.0
  O  O5  2  0.2584  0.5000  0.2691  1.0
]