data_TlZnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   146.58
_cell_angle_beta   139.84
_cell_angle_gamma   53.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnIr
_chemical_formula_sum   'Tl1 Zn1 Ir1'
_cell_volume   54.65
_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  0.37  1.0
  Zn  Zn2  1  0.0  0.0  0.53  1.0
  Ir  Ir0  1  0.0  0.0  0.3  1.0

data_TlZnIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.69
_cell_length_c   5.37
_cell_angle_alpha   110.08
_cell_angle_beta   106.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnIr
_chemical_formula_sum   'Tl1 Zn1 Ir1'
_cell_volume   54.65
_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  0.63  0.63  0.63  1.0
  Zn  Zn1  1  0.47  0.47  0.47  1.0
  Ir  Ir2  1  0.7  0.7  0.7  1.0

Tl Zn Ir
Tl Zn Ir 0 2 o o o 0 1 o o o 