data_BaTl2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.86
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   101.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTl2Ga
_chemical_formula_sum   'Ba1 Tl2 Ga1'
_cell_volume   133.66
_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  0.39  0.43  0.6  1.0
  Tl  Tl2  1  0.56  0.43  0.1  1.0
  Tl  Tl3  1  0.82  0.0  0.12  1.0
  Ga  Ga1  1  0.41  0.0  0.1  1.0

data_BaTl2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.86
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   101.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTl2Ga
_chemical_formula_sum   'Ba1 Tl2 Ga1'
_cell_volume   133.66
_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  0.39  0.43  0.6  1.0
  Tl  Tl1  1  0.56  0.43  0.1  1.0
  Tl  Tl2  1  0.82  0.0  0.12  1.0
  Ga  Ga3  1  0.41  0.0  0.1  1.0

Ba Tl Tl Ga
BaTl2Ga crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 2-coordinate geometry to two equivalent Tl(1) atoms. There is one shorter (3.28 Å) and one longer (3.60 Å) Ba(1)-Tl(1) bond length. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Tl(2), and two equivalent Ga(1) atoms. There is one shorter (2.34 Å) and one longer (2.97 Å) Tl(1)-Tl(2) bond length. There is one shorter (2.17 Å) and one longer (2.84 Å) Tl(1)-Ga(1) bond length. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to two equivalent Tl(1) and two equivalent Ga(1) atoms. There is one shorter (1.67 Å) and one longer (2.49 Å) Tl(2)-Ga(1) bond length. Ga(1) is bonded in a 4-coordinate geometry to two equivalent Tl(1) and two equivalent Tl(2) atoms.