data_LiAlV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   147.76
_cell_angle_beta   127.21
_cell_angle_gamma   63.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlV
_chemical_formula_sum   'Li1 Al1 V1'
_cell_volume   45.76
_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  0.38  1.0
  Al  Al0  1  0.0  0.0  0.1  1.0
  V  V2  1  0.0  0.0  0.78  1.0

data_LiAlV
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.25
_cell_length_c   4.77
_cell_angle_alpha   116.4
_cell_angle_beta   106.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlV
_chemical_formula_sum   'Li1 Al1 V1'
_cell_volume   45.76
_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  0.38  0.38  1.0
  Al  Al1  1  0.0  0.1  0.1  1.0
  V  V2  1  0.0  0.78  0.78  1.0

Li Al V