data_BaInGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInGa2
_chemical_formula_sum   'Ba1 In1 Ga2'
_cell_volume   109.07
_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
  Ba  Ba0  1  0.0  0.0  0.74  1.0
  In  In3  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.91  0.91  0.07  1.0
  Ga  Ga2  1  0.91  0.91  0.4  1.0

data_BaInGa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaInGa2
_chemical_formula_sum   'Ba2 In2 Ga4'
_cell_volume   218.13
_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
  Ba  Ba0  2  0.0  0.0  0.74  1.0
  In  In1  2  0.0  0.0  0.0  1.0
  Ga  Ga2  2  0.41  0.5  0.07  1.0
  Ga  Ga3  2  0.41  0.5  0.4  1.0

Ba In Ga Ga
Ba In Ga Ga 0 1 o o + 0 3 - - o 1 2 - - o 2 3 o o o 