data_AlTcIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.73
_cell_angle_alpha   99.19
_cell_angle_beta   99.19
_cell_angle_gamma   33.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTcIr2
_chemical_formula_sum   'Al1 Tc1 Ir2'
_cell_volume   57.74
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.11  0.0  0.33  1.0
  Ir  Ir1  1  0.66  0.0  0.49  1.0
  Ir  Ir2  1  0.56  0.0  0.17  1.0

data_AlTcIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.71
_cell_length_c   4.73
_cell_angle_alpha   99.19
_cell_angle_beta   90.0
_cell_angle_gamma   106.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTcIr2
_chemical_formula_sum   'Al1 Tc1 Ir2'
_cell_volume   57.74
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.89  0.67  1.0
  Ir  Ir2  1  0.0  0.34  0.51  1.0
  Ir  Ir3  1  0.0  0.44  0.83  1.0

Al Tc Ir Ir