data_LiAlCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   4.42
_cell_angle_alpha   102.11
_cell_angle_beta   102.11
_cell_angle_gamma   35.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlCo2
_chemical_formula_sum   'Li1 Al1 Co2'
_cell_volume   47.31
_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  Li3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.68  0.0  0.16  1.0
  Co  Co1  1  0.07  0.0  0.07  1.0
  Co  Co2  1  0.29  0.0  0.24  1.0

data_LiAlCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.37
_cell_length_c   4.42
_cell_angle_alpha   102.11
_cell_angle_beta   90.0
_cell_angle_gamma   107.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlCo2
_chemical_formula_sum   'Li1 Al1 Co2'
_cell_volume   47.31
_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
  Al  Al1  1  0.0  0.32  0.84  1.0
  Co  Co2  1  0.0  0.71  0.76  1.0
  Co  Co3  1  0.0  0.93  0.93  1.0

Li Al Co Co