data_Li2AlCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.46
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   128.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AlCoO4
_chemical_formula_sum   'Li4 Al2 Co2 O8'
_cell_volume   173.84
_cell_formula_units_Z   2
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  0.5  0.63  0.56  1.0
  Li  Li1  1  0.53  0.92  0.32  1.0
  Li  Li2  1  0.02  0.83  0.74  1.0
  Li  Li3  1  0.01  0.54  0.15  1.0
  Al  Al4  1  0.02  0.78  0.56  1.0
  Al  Al5  1  0.54  0.68  0.74  1.0
  Co  Co6  1  0.99  0.55  0.02  1.0
  Co  Co7  1  0.51  0.91  0.19  1.0
  O  O8  1  0.81  0.74  0.66  1.0
  O  O9  1  0.92  0.48  0.2  1.0
  O  O10  1  0.06  0.57  0.27  1.0
  O  O11  1  0.03  0.98  0.65  1.0
  O  O12  1  0.33  0.72  0.83  1.0
  O  O13  1  0.4  0.99  0.03  1.0
  O  O14  1  0.54  0.89  0.1  1.0
  O  O15  1  0.51  0.49  0.47  1.0

data_Li2AlCoO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.01
_cell_length_b   5.46
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AlCoO4
_chemical_formula_sum   'Li4 Al2 Co2 O8'
_cell_volume   173.84
_cell_formula_units_Z   2
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  0.2  0.08  0.68  1.0
  Li  Li1  1  0.28  0.17  0.26  1.0
  Li  Li2  1  0.86  0.46  0.85  1.0
  Li  Li3  1  0.94  0.37  0.44  1.0
  Al  Al4  1  0.46  0.22  0.44  1.0
  Al  Al5  1  0.8  0.32  0.26  1.0
  Co  Co6  1  0.32  0.09  0.81  1.0
  Co  Co7  1  0.97  0.45  0.98  1.0
  O  O8  1  0.04  0.51  0.53  1.0
  O  O9  1  0.15  0.26  0.34  1.0
  O  O10  1  0.37  0.01  0.97  1.0
  O  O11  1  0.38  0.02  0.35  1.0
  O  O12  1  0.44  0.11  0.9  1.0
  O  O13  1  0.49  0.28  0.17  1.0
  O  O14  1  0.72  0.52  0.8  1.0
  O  O15  1  0.79  0.43  0.73  1.0

Li Li Li Li Al Al Co Co O O O O O O O O