data_AlIrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   2.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIrPt
_chemical_formula_sum   'Al1 Ir1 Pt1'
_cell_volume   44.56
_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  0.77  1.0
  Ir  Ir1  1  0.0  0.47  0.74  1.0
  Pt  Pt2  1  0.14  0.24  0.11  1.0

data_AlIrPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.28
_cell_length_c   4.28
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIrPt
_chemical_formula_sum   'Al1 Ir1 Pt1'
_cell_volume   44.56
_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  0.77  0.0  0.0  1.0
  Ir  Ir1  1  0.74  0.0  0.47  1.0
  Pt  Pt2  1  0.11  0.14  0.24  1.0

Al Ir Pt
Al Ir Pt 0 2 o o + 0 1 o o o 1 2 o o + 