data_BaTlGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   6.88
_cell_length_c   3.85
_cell_angle_alpha   74.24
_cell_angle_beta   73.35
_cell_angle_gamma   32.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTlGa
_chemical_formula_sum   'Ba1 Tl1 Ga1'
_cell_volume   94.02
_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  0.68  0.76  0.08  1.0
  Tl  Tl2  1  0.68  0.76  0.9  1.0
  Ga  Ga1  1  0.68  0.76  0.7  1.0

data_BaTlGa
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.85
_cell_length_b   12.68
_cell_length_c   3.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   BaTlGa
_chemical_formula_sum   'Ba2 Tl2 Ga2'
_cell_volume   188.12
_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+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -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
  Ba  Ba0  2  0.0  0.5  0.24  1.0
  Tl  Tl1  2  0.0  0.5  0.41  1.0
  Ga  Ga2  2  0.0  0.5  0.62  1.0

Ba Tl Ga
Ba Tl Ga 0 1 o o - 1 2 o o o 