data_Zr2IrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   135.09
_cell_angle_beta   135.09
_cell_angle_gamma   65.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2IrPt
_chemical_formula_sum   'Zr2 Ir1 Pt1'
_cell_volume   72.5
_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  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.02  0.0  0.22  1.0
  Ir  Ir0  1  0.0  0.0  0.45  1.0
  Pt  Pt1  1  0.0  0.02  0.22  1.0

data_Zr2IrPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   5.29
_cell_angle_alpha   112.45
_cell_angle_beta   112.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2IrPt
_chemical_formula_sum   'Zr2 Ir1 Pt1'
_cell_volume   72.5
_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  0.0  0.0  1.0
  Zr  Zr1  1  0.22  0.21  0.21  1.0
  Ir  Ir2  1  0.45  0.45  0.45  1.0
  Pt  Pt3  1  0.21  0.22  0.21  1.0

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