data_Tl2ZnIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ZnIn
_chemical_formula_sum   'Tl2 Zn1 In1'
_cell_volume   106.36
_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  Tl1  1  0.0  0.0  0.28  1.0
  Tl  Tl2  1  0.78  0.78  0.44  1.0
  Zn  Zn3  1  0.0  0.0  0.39  1.0
  In  In0  1  0.78  0.78  0.97  1.0

data_Tl2ZnIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2ZnIn
_chemical_formula_sum   'Tl4 Zn2 In2'
_cell_volume   212.72
_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  0.28  1.0
  Tl  Tl1  2  0.28  0.5  0.44  1.0
  Zn  Zn2  2  0.0  0.0  0.39  1.0
  In  In3  2  0.28  0.5  0.97  1.0

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