data_AlV2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   4.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Ga
_chemical_formula_sum   'Al1 V2 Ga1'
_cell_volume   56.48
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  V  V2  1  0.87  0.0  0.01  1.0
  V  V3  1  0.0  0.87  0.01  1.0
  Ga  Ga1  1  0.87  0.87  0.0  1.0

data_AlV2Ga
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   4.02
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   AlV2Ga
_chemical_formula_sum   'Al2 V4 Ga2'
_cell_volume   112.97
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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
  Al  Al0  2  0.0  0.0  0.0  1.0
  V  V1  4  0.0  0.06  0.94  1.0
  Ga  Ga2  2  0.0  0.0  0.87  1.0

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