data_TlZnGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.48
_cell_length_b   9.48
_cell_length_c   9.48
_cell_angle_alpha   19.95
_cell_angle_beta   19.95
_cell_angle_gamma   19.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnGa2
_chemical_formula_sum   'Tl1 Zn1 Ga2'
_cell_volume   86.76
_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  0.0  0.0  0.93  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.56  1.0
  Ga  Ga1  1  0.0  0.0  0.3  1.0

data_TlZnGa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.69
_cell_length_b   3.28
_cell_length_c   9.48
_cell_angle_alpha   90.0
_cell_angle_beta   101.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlZnGa2
_chemical_formula_sum   'Tl2 Zn2 Ga4'
_cell_volume   173.53
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.07  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Ga  Ga2  2  0.0  0.0  0.44  1.0
  Ga  Ga3  2  0.0  0.0  0.7  1.0

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