data_LiAlO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlO2
_chemical_formula_sum   'Li4 Al4 O8'
_cell_volume   172.58
_cell_formula_units_Z   4
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  Li4  1  0.24  0.24  0.0  1.0
  Li  Li5  1  0.98  0.98  0.17  1.0
  Li  Li6  1  0.63  0.59  0.75  1.0
  Li  Li7  1  0.59  0.63  0.58  1.0
  Al  Al0  1  0.92  0.92  0.0  1.0
  Al  Al1  1  0.3  0.3  0.17  1.0
  Al  Al2  1  0.53  0.69  0.75  1.0
  Al  Al3  1  0.69  0.53  0.58  1.0
  O  O8  1  0.76  0.52  0.89  1.0
  O  O9  1  0.46  0.7  0.73  1.0
  O  O10  1  0.37  0.09  0.19  1.0
  O  O11  1  0.85  0.13  0.02  1.0
  O  O12  1  0.7  0.46  0.61  1.0
  O  O13  1  0.52  0.76  0.44  1.0
  O  O14  1  0.13  0.85  0.31  1.0
  O  O15  1  0.09  0.37  0.14  1.0

data_LiAlO2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlO2
_chemical_formula_sum   'Li4 Al4 O8'
_cell_volume   172.58
_cell_formula_units_Z   4
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  0.24  0.24  -0.0  1.0
  Li  Li1  1  0.59  0.63  0.58  1.0
  Li  Li2  1  0.63  0.59  0.75  1.0
  Li  Li3  1  0.98  0.98  0.17  1.0
  Al  Al4  1  0.3  0.3  0.17  1.0
  Al  Al5  1  0.53  0.69  0.75  1.0
  Al  Al6  1  0.69  0.53  0.58  1.0
  Al  Al7  1  0.92  0.92  -0.0  1.0
  O  O8  1  0.09  0.37  0.14  1.0
  O  O9  1  0.13  0.85  0.31  1.0
  O  O10  1  0.37  0.09  0.19  1.0
  O  O11  1  0.46  0.7  0.73  1.0
  O  O12  1  0.52  0.76  0.44  1.0
  O  O13  1  0.7  0.46  0.61  1.0
  O  O14  1  0.76  0.52  0.89  1.0
  O  O15  1  0.85  0.13  0.02  1.0

Li Li Li Li Al Al Al Al O O O O O O O O