data_SrAlIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   150.4
_cell_angle_beta   145.69
_cell_angle_gamma   45.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAlIr
_chemical_formula_sum   'Sr1 Al1 Ir1'
_cell_volume   64.73
_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
  Sr  Sr2  1  0.0  0.0  0.7  1.0
  Al  Al0  1  0.0  0.0  0.54  1.0
  Ir  Ir1  1  0.0  0.0  0.09  1.0

data_SrAlIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.63
_cell_length_c   6.16
_cell_angle_alpha   107.16
_cell_angle_beta   104.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAlIr
_chemical_formula_sum   'Sr1 Al1 Ir1'
_cell_volume   64.73
_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
  Sr  Sr0  1  0.0  0.7  0.7  1.0
  Al  Al1  1  0.0  0.54  0.54  1.0
  Ir  Ir2  1  0.0  0.09  0.09  1.0

Sr Al Ir