data_ZrIrPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   3.92
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIrPt2
_chemical_formula_sum   'Zr1 Ir1 Pt2'
_cell_volume   66.82
_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
  Zr  Zr3  1  0.96  0.0  0.89  1.0
  Ir  Ir0  1  0.44  0.96  0.33  1.0
  Pt  Pt1  1  0.89  0.0  0.7  1.0
  Pt  Pt2  1  0.48  0.96  0.38  1.0

data_ZrIrPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   3.92
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIrPt2
_chemical_formula_sum   'Zr1 Ir1 Pt2'
_cell_volume   66.82
_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
  Zr  Zr0  1  0.96  0.0  0.89  1.0
  Ir  Ir1  1  0.44  0.96  0.33  1.0
  Pt  Pt2  1  0.48  0.96  0.38  1.0
  Pt  Pt3  1  0.89  0.0  0.7  1.0

Zr Ir Pt Pt
Zr Ir Pt Pt 0 2 o o o 1 3 o o o 