data_TlZnGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.86
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnGa2
_chemical_formula_sum   'Tl1 Zn1 Ga2'
_cell_volume   85.77
_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  0.59  0.93  0.57  1.0
  Zn  Zn3  1  0.0  0.0  0.59  1.0
  Ga  Ga0  1  0.59  0.93  0.94  1.0
  Ga  Ga1  1  0.0  0.0  0.43  1.0

data_TlZnGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.86
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnGa2
_chemical_formula_sum   'Tl1 Zn1 Ga2'
_cell_volume   85.77
_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  0.59  0.93  0.57  1.0
  Zn  Zn1  1  0.0  0.0  0.59  1.0
  Ga  Ga2  1  0.0  0.0  0.43  1.0
  Ga  Ga3  1  0.59  0.93  0.94  1.0

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