data_AsIrPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   149.82
_cell_angle_beta   129.59
_cell_angle_gamma   59.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIrPt2
_chemical_formula_sum   'As1 Ir1 Pt2'
_cell_volume   63.17
_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
  As  As0  1  0.0  0.0  0.63  1.0
  Ir  Ir1  1  0.43  0.0  0.57  1.0
  Pt  Pt2  1  0.0  0.0  0.07  1.0
  Pt  Pt3  1  0.0  0.33  0.22  1.0

data_AsIrPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.67
_cell_length_c   5.48
_cell_angle_alpha   115.2
_cell_angle_beta   105.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIrPt2
_chemical_formula_sum   'As1 Ir1 Pt2'
_cell_volume   63.17
_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
  As  As0  1  0.0  0.63  0.63  1.0
  Ir  Ir1  1  0.0  0.57  0.14  1.0
  Pt  Pt2  1  0.0  0.07  0.07  1.0
  Pt  Pt3  1  0.67  0.89  0.89  1.0

As Ir Pt Pt