data_[Li3Fe2Cu2O8]
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 [P-1]
_cell_length_a [5.5830]
_cell_length_b [5.6971]
_cell_length_c [6.2317]
_cell_angle_alpha [63.0635]
_cell_angle_beta [64.2006]
_cell_angle_gamma [89.9193]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3Fe2(CuO4)2]
_chemical_formula_sum '[Li3 Fe2 Cu2 O8]'
_cell_volume [154.2868]
_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  0.5000  1.0
  Li  Li1  1  0.0000  0.5000  0.5000  1.0
  Li  Li2  1  0.5000  0.5000  0.0000  1.0
  Fe  Fe3  1  0.5000  0.0000  0.5000  1.0
  Fe  Fe4  1  0.5000  0.5000  0.5000  1.0
  Cu  Cu5  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu6  1  0.5000  0.0000  0.0000  1.0
  O  O7  2  0.2608  0.7345  0.5085  1.0
  O  O8  2  0.2719  0.2370  0.9553  1.0
  O  O9  2  0.2782  0.8137  0.9438  1.0
  O  O10  2  0.2863  0.2824  0.4518  1.0
]