data_[Li1Co1Cu1O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Co  1.8800  1.3500  0.7683
  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 [5.0025]
_cell_length_b [2.8275]
_cell_length_c [5.2309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiCoCuO4]
_chemical_formula_sum '[Li1 Co1 Cu1 O4]'
_cell_volume [68.1628]
_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  0.5000  0.5000  0.0000  1
  Co  Co1  1  0.0000  0.5000  0.5000  1
  Cu  Cu2  1  0.5000  0.0000  0.5000  1
  O  O3  2  0.2348  0.0000  0.7235  1
  O  O4  2  0.2529  0.5000  0.3079  1
]