data_AlGeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.5
_cell_length_c   2.9
_cell_angle_alpha   82.58
_cell_angle_beta   72.28
_cell_angle_gamma   25.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGeIr
_chemical_formula_sum   'Al1 Ge1 Ir1'
_cell_volume   48.17
_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  0.56  0.44  0.13  1.0
  Ge  Ge1  1  0.56  0.44  0.12  1.0
  Ir  Ir2  1  0.56  0.44  0.38  1.0

data_AlGeIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.12
_cell_length_b   12.62
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   122.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlGeIr
_chemical_formula_sum   'Al2 Ge2 Ir2'
_cell_volume   96.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.44  0.0  0.31  1.0
  Ge  Ge1  2  0.44  0.0  0.32  1.0
  Ir  Ir2  2  0.44  0.0  0.06  1.0

Al Ge Ir