data_Li2VGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.72
_cell_length_b   9.72
_cell_length_c   9.72
_cell_angle_alpha   15.98
_cell_angle_beta   15.98
_cell_angle_gamma   15.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VGa
_chemical_formula_sum   'Li2 V1 Ga1'
_cell_volume   60.62
_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  0.64  1.0
  Li  Li2  1  0.0  0.0  0.14  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.39  1.0

data_Li2VGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.68
_cell_length_b   2.7
_cell_length_c   9.72
_cell_angle_alpha   90.0
_cell_angle_beta   99.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2VGa
_chemical_formula_sum   'Li4 V2 Ga2'
_cell_volume   121.24
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.36  1.0
  Li  Li1  2  0.0  0.0  0.86  1.0
  V  V2  2  0.0  0.0  0.0  1.0
  Ga  Ga3  2  0.0  0.0  0.61  1.0

Li Li V Ga