data_AlTcIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.66
_cell_angle_alpha   99.05
_cell_angle_beta   99.05
_cell_angle_gamma   34.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTcIr2
_chemical_formula_sum   'Al1 Tc1 Ir2'
_cell_volume   57.93
_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  0.71  0.0  0.57  1.0
  Tc  Tc3  1  0.1  0.0  0.19  1.0
  Ir  Ir1  1  0.26  0.0  0.46  1.0
  Ir  Ir2  1  0.57  0.0  0.28  1.0

data_AlTcIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.66
_cell_length_c   4.73
_cell_angle_alpha   99.05
_cell_angle_beta   107.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTcIr2
_chemical_formula_sum   'Al1 Tc1 Ir2'
_cell_volume   57.93
_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  0.57  0.71  1.0
  Tc  Tc1  1  0.0  0.19  0.1  1.0
  Ir  Ir2  1  0.0  0.28  0.57  1.0
  Ir  Ir3  1  0.0  0.46  0.26  1.0

Al Tc Ir Ir