data_Zr2IrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   6.39
_cell_angle_alpha   105.89
_cell_angle_beta   105.89
_cell_angle_gamma   55.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2IrPt
_chemical_formula_sum   'Zr2 Ir1 Pt1'
_cell_volume   81.81
_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  Zr2  1  0.89  0.0  0.46  1.0
  Zr  Zr3  1  0.3  0.0  0.62  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.6  0.0  0.04  1.0

data_Zr2IrPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.05
_cell_length_c   6.39
_cell_angle_alpha   105.89
_cell_angle_beta   90.0
_cell_angle_gamma   117.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2IrPt
_chemical_formula_sum   'Zr2 Ir1 Pt1'
_cell_volume   81.81
_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  0.0  0.11  0.54  1.0
  Zr  Zr1  1  0.0  0.7  0.38  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.4  0.96  1.0

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