data_LiAlV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   145.25
_cell_angle_beta   134.42
_cell_angle_gamma   58.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlV2
_chemical_formula_sum   'Li1 Al1 V2'
_cell_volume   54.47
_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  Li1  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.47  1.0
  V  V2  1  0.0  0.99  0.24  1.0
  V  V3  1  0.53  0.0  0.23  1.0

data_LiAlV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.97
_cell_length_c   5.13
_cell_angle_alpha   112.79
_cell_angle_beta   107.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlV2
_chemical_formula_sum   'Li1 Al1 V2'
_cell_volume   54.47
_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
  Al  Al1  1  0.0  0.47  0.47  1.0
  V  V2  1  0.0  0.23  0.7  1.0
  V  V3  1  0.01  0.26  0.26  1.0

Li Al V V
Li Al V V 0 2 o - o 0 3 o o o 1 2 o - o 1 3 - o o 