data_TlZnGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.42
_cell_angle_alpha   104.25
_cell_angle_beta   104.25
_cell_angle_gamma   34.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnGa2
_chemical_formula_sum   'Tl1 Zn1 Ga2'
_cell_volume   86.03
_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  Tl2  1  0.45  0.0  0.62  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.69  0.0  0.1  1.0
  Ga  Ga1  1  0.22  0.0  0.14  1.0

data_TlZnGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.39
_cell_length_c   5.42
_cell_angle_alpha   104.25
_cell_angle_beta   90.0
_cell_angle_gamma   107.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnGa2
_chemical_formula_sum   'Tl1 Zn1 Ga2'
_cell_volume   86.03
_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  0.55  0.38  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.0  0.31  0.9  1.0
  Ga  Ga3  1  0.0  0.78  0.86  1.0

Tl Zn Ga Ga
Tl Zn Ga Ga 0 3 o o o 0 0 + - o 0 1 + o + 0 2 o o + 1 3 o o o 1 2 - o o 