data_TlSnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   9.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSnIr2
_chemical_formula_sum   'Tl1 Sn1 Ir2'
_cell_volume   80.67
_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  Tl3  1  0.99  0.0  0.92  1.0
  Sn  Sn2  1  0.0  0.0  0.15  1.0
  Ir  Ir0  1  0.0  0.0  0.74  1.0
  Ir  Ir1  1  0.99  0.0  0.16  1.0

data_TlSnIr2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.98
_cell_length_b   4.42
_cell_length_c   9.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   TlSnIr2
_chemical_formula_sum   'Tl2 Sn2 Ir4'
_cell_volume   161.35
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.08  1.0
  Sn  Sn1  2  0.0  0.0  0.85  1.0
  Ir  Ir2  2  0.0  0.0  0.26  1.0
  Ir  Ir3  2  0.0  0.0  0.84  1.0

Tl Sn Ir Ir