data_TlTcIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   5.05
_cell_angle_alpha   99.43
_cell_angle_beta   99.43
_cell_angle_gamma   34.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTcIr2
_chemical_formula_sum   'Tl1 Tc1 Ir2'
_cell_volume   65.89
_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  0.65  0.0  0.78  1.0
  Tc  Tc2  1  0.12  0.0  0.26  1.0
  Ir  Ir0  1  0.06  0.0  0.07  1.0
  Ir  Ir1  1  0.71  0.0  0.35  1.0

data_TlTcIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.83
_cell_length_c   5.05
_cell_angle_alpha   99.43
_cell_angle_beta   90.0
_cell_angle_gamma   107.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTcIr2
_chemical_formula_sum   'Tl1 Tc1 Ir2'
_cell_volume   65.89
_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  0.0  0.35  0.22  1.0
  Tc  Tc1  1  0.0  0.88  0.74  1.0
  Ir  Ir2  1  0.0  0.29  0.65  1.0
  Ir  Ir3  1  0.0  0.94  0.93  1.0

Tl Tc Ir Ir
Tl Tc Ir Ir 0 3 o o o 0 2 + o + 1 2 o o o 1 3 - o o 2 3 - o o 