data_TlCoIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   5.04
_cell_angle_alpha   100.08
_cell_angle_beta   100.08
_cell_angle_gamma   35.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCoIr2
_chemical_formula_sum   'Tl1 Co1 Ir2'
_cell_volume   63.38
_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  0.98  0.0  0.4  1.0
  Co  Co0  1  0.44  0.0  0.06  1.0
  Ir  Ir1  1  0.11  0.0  0.94  1.0
  Ir  Ir2  1  0.55  0.0  0.97  1.0

data_TlCoIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.69
_cell_length_c   5.04
_cell_angle_alpha   100.08
_cell_angle_beta   90.0
_cell_angle_gamma   107.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCoIr2
_chemical_formula_sum   'Tl1 Co1 Ir2'
_cell_volume   63.38
_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  0.02  0.6  1.0
  Co  Co1  1  0.0  0.56  0.94  1.0
  Ir  Ir2  1  0.0  0.45  0.03  1.0
  Ir  Ir3  1  0.0  0.89  0.06  1.0

Tl Co Ir Ir