data_TlZn2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91
_cell_length_b   8.91
_cell_length_c   8.91
_cell_angle_alpha   22.59
_cell_angle_beta   22.59
_cell_angle_gamma   22.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn2In
_chemical_formula_sum   'Tl1 Zn2 In1'
_cell_volume   91.43
_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  0.01  1.0
  Zn  Zn2  1  0.0  0.0  0.45  1.0
  Zn  Zn3  1  0.0  0.0  0.58  1.0
  In  In0  1  0.0  0.0  0.0  1.0

data_TlZn2In
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.04
_cell_length_b   3.49
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   103.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlZn2In
_chemical_formula_sum   'Tl2 Zn4 In2'
_cell_volume   182.85
_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  0.99  1.0
  Zn  Zn1  2  0.0  0.0  0.42  1.0
  Zn  Zn2  2  0.0  0.0  0.55  1.0
  In  In3  2  0.0  0.0  0.0  1.0

Tl Zn Zn In