data_Tl2TcIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.1
_cell_angle_alpha   110.47
_cell_angle_beta   110.47
_cell_angle_gamma   30.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TcIr
_chemical_formula_sum   'Tl2 Tc1 Ir1'
_cell_volume   76.13
_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  Tl2  1  0.11  0.0  0.35  1.0
  Tl  Tl3  1  0.22  0.0  0.24  1.0
  Tc  Tc1  1  0.01  0.0  0.93  1.0
  Ir  Ir0  1  0.02  0.0  0.6  1.0

data_Tl2TcIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   5.1
_cell_length_c   5.58
_cell_angle_alpha   110.47
_cell_angle_beta   105.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TcIr
_chemical_formula_sum   'Tl2 Tc1 Ir1'
_cell_volume   76.13
_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  0.24  0.22  1.0
  Tl  Tl1  1  0.0  0.35  0.11  1.0
  Tc  Tc2  1  0.0  0.93  0.01  1.0
  Ir  Ir3  1  0.0  0.6  0.02  1.0

Tl Tl Tc Ir