data_ReIrPt2
_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   132.33
_cell_angle_beta   132.33
_cell_angle_gamma   69.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReIrPt2
_chemical_formula_sum   'Re1 Ir1 Pt2'
_cell_volume   60.16
_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
  Re  Re3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.95  0.0  0.98  1.0
  Pt  Pt1  1  0.0  0.0  0.96  1.0
  Pt  Pt2  1  0.0  0.95  0.98  1.0

data_ReIrPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   4.82
_cell_angle_alpha   113.84
_cell_angle_beta   113.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReIrPt2
_chemical_formula_sum   'Re1 Ir1 Pt2'
_cell_volume   60.16
_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
  Re  Re0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.02  0.0  0.97  1.0
  Pt  Pt2  1  0.04  0.0  0.04  1.0
  Pt  Pt3  1  0.97  0.95  0.97  1.0

Re Ir Pt Pt
Re Ir Pt Pt 0 1 - o - 0 3 o - - 0 2 o o - 