data_Li2CoCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   133.37
_cell_angle_beta   133.37
_cell_angle_gamma   68.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CoCuO4
_chemical_formula_sum   'Li2 Co1 Cu1 O4'
_cell_volume   71.03
_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  0.04  0.0  0.13  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.0  0.0  0.27  1.0
  Cu  Cu3  1  0.0  0.04  0.13  1.0
  O  O4  1  0.0  0.04  0.22  1.0
  O  O5  1  0.0  0.04  0.05  1.0
  O  O6  1  0.0  0.0  0.28  1.0
  O  O7  1  0.0  0.0  0.26  1.0

data_Li2CoCuO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   5.15
_cell_angle_alpha   113.32
_cell_angle_beta   113.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CoCuO4
_chemical_formula_sum   'Li2 Co1 Cu1 O4'
_cell_volume   71.03
_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  0.0  0.0  0.0  1.0
  Li  Li1  1  0.87  0.0  0.9  1.0
  Co  Co2  1  0.73  0.0  0.73  1.0
  Cu  Cu3  1  0.9  0.04  0.9  1.0
  O  O4  1  0.72  0.0  0.72  1.0
  O  O5  1  0.74  0.0  0.74  1.0
  O  O6  1  0.82  0.04  0.82  1.0
  O  O7  1  0.99  0.04  0.99  1.0

Li Li Co Cu O O O O
Li Li Co Cu O O O O 0 3 o o o 1 5 o o o 2 7 o o o 2 6 o o o 2 4 o o o 3 4 o o o 4 7 o o o 