data_Al2TeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   5.98
_cell_angle_alpha   107.38
_cell_angle_beta   107.38
_cell_angle_gamma   51.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TeIr
_chemical_formula_sum   'Al2 Te1 Ir1'
_cell_volume   88.7
_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  0.87  0.0  0.03  1.0
  Al  Al1  1  0.23  0.0  0.74  1.0
  Te  Te3  1  0.37  0.0  0.67  1.0
  Ir  Ir2  1  0.67  0.0  0.66  1.0

data_Al2TeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.47
_cell_length_c   5.98
_cell_angle_alpha   107.38
_cell_angle_beta   90.0
_cell_angle_gamma   115.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TeIr
_chemical_formula_sum   'Al2 Te1 Ir1'
_cell_volume   88.7
_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  0.13  0.97  1.0
  Al  Al1  1  0.0  0.77  0.26  1.0
  Te  Te2  1  0.0  0.63  0.33  1.0
  Ir  Ir3  1  0.0  0.33  0.34  1.0

Al Al Te Ir