data_TlGa2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   3.7
_cell_angle_alpha   105.87
_cell_angle_beta   105.87
_cell_angle_gamma   123.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGa2Cl
_chemical_formula_sum   'Tl1 Ga2 Cl1'
_cell_volume   102.64
_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
  Tl  Tl3  1  0.02  0.0  0.0  1.0
  Ga  Ga1  1  0.43  0.83  0.51  1.0
  Ga  Ga2  1  0.43  0.17  0.51  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TlGa2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.91
_cell_length_c   6.41
_cell_angle_alpha   111.84
_cell_angle_beta   105.87
_cell_angle_gamma   92.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGa2Cl
_chemical_formula_sum   'Tl1 Ga2 Cl1'
_cell_volume   102.64
_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
  Tl  Tl0  1  0.0  0.0  0.02  1.0
  Ga  Ga1  1  0.33  0.83  0.26  1.0
  Ga  Ga2  1  0.68  0.17  0.61  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Tl Ga Ga Cl