data_AsIr2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   131.29
_cell_angle_beta   131.29
_cell_angle_gamma   71.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIr2Pt
_chemical_formula_sum   'As1 Ir2 Pt1'
_cell_volume   61.78
_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  0.0  1.0
  Ir  Ir1  1  0.99  0.0  0.96  1.0
  Ir  Ir2  1  0.0  0.0  0.91  1.0
  Pt  Pt3  1  0.0  0.99  0.96  1.0

data_AsIr2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   125.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AsIr2Pt
_chemical_formula_sum   'As2 Ir4 Pt2'
_cell_volume   123.57
_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
  As  As0  2  0.0  0.0  0.0  1.0
  Ir  Ir1  2  0.04  0.0  0.03  1.0
  Ir  Ir2  2  0.09  0.0  0.09  1.0
  Pt  Pt3  2  0.04  0.0  0.03  1.0

As Ir Ir Pt
As Ir Ir Pt 0 1 - o - 0 3 o - - 1 3 + - o 1 2 + o o 2 3 o - o 