data_Ba2TlGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   7.49
_cell_angle_alpha   102.51
_cell_angle_beta   102.51
_cell_angle_gamma   44.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TlGa
_chemical_formula_sum   'Ba2 Tl1 Ga1'
_cell_volume   165.85
_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  0.36  0.0  0.56  1.0
  Ba  Ba1  1  0.46  0.0  0.73  1.0
  Tl  Tl3  1  0.41  0.0  0.64  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0

data_Ba2TlGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   5.71
_cell_length_c   7.49
_cell_angle_alpha   102.51
_cell_angle_beta   90.0
_cell_angle_gamma   112.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TlGa
_chemical_formula_sum   'Ba2 Tl1 Ga1'
_cell_volume   165.85
_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  0.54  0.27  1.0
  Ba  Ba1  1  0.0  0.64  0.44  1.0
  Tl  Tl2  1  0.0  0.59  0.36  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

Ba Ba Tl Ga