data_Li3Cu(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.88
_cell_angle_alpha   120.08
_cell_angle_beta   120.08
_cell_angle_gamma   60.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Cu(NiO2)4
_chemical_formula_sum   'Li3 Cu1 Ni4 O8'
_cell_volume   141.47
_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  0.52  0.46  0.0  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Li  Li2  1  0.52  0.54  0.0  1.0
  Cu  Cu3  1  0.34  0.0  0.4  1.0
  Ni  Ni4  1  0.05  0.0  0.0  1.0
  Ni  Ni5  1  0.3  0.0  0.4  1.0
  Ni  Ni6  1  0.82  0.46  0.4  1.0
  Ni  Ni7  1  0.82  0.54  0.4  1.0
  O  O8  1  0.1  0.0  0.41  1.0
  O  O9  1  0.43  0.58  0.49  1.0
  O  O10  1  0.43  0.42  0.49  1.0
  O  O11  1  0.96  0.0  0.62  1.0
  O  O12  1  0.73  0.0  0.17  1.0
  O  O13  1  0.26  0.58  0.3  1.0
  O  O14  1  0.26  0.42  0.3  1.0
  O  O15  1  0.59  0.0  0.38  1.0

data_Li3Cu(NiO2)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.85
_cell_angle_alpha   90.45
_cell_angle_beta   119.59
_cell_angle_gamma   119.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Cu(NiO2)4
_chemical_formula_sum   'Li3 Cu1 Ni4 O8'
_cell_volume   141.47
_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  0.52  0.46  0.0  1.0
  Li  Li2  1  0.52  0.54  0.0  1.0
  Cu  Cu3  1  0.95  0.0  0.6  1.0
  Ni  Ni4  1  0.05  0.0  -0.0  1.0
  Ni  Ni5  1  0.43  0.54  0.6  1.0
  Ni  Ni6  1  0.43  0.46  0.6  1.0
  Ni  Ni7  1  0.9  0.0  0.6  1.0
  O  O8  1  0.21  0.0  0.62  1.0
  O  O9  1  0.34  0.0  0.38  1.0
  O  O10  1  0.56  0.0  0.83  1.0
  O  O11  1  0.69  0.0  0.59  1.0
  O  O12  1  0.94  0.42  0.51  1.0
  O  O13  1  0.94  0.58  0.51  1.0
  O  O14  1  0.96  0.42  0.7  1.0
  O  O15  1  0.96  0.58  0.7  1.0

Li Li Li Cu Ni Ni Ni Ni O O O O O O O O