data_ZrZnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   135.61
_cell_angle_beta   135.61
_cell_angle_gamma   64.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnIr2
_chemical_formula_sum   'Zr1 Zn1 Ir2'
_cell_volume   63.9
_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  0.0  0.93  0.15  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.31  1.0
  Ir  Ir1  1  0.93  0.0  0.15  1.0

data_ZrZnIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   5.1
_cell_angle_alpha   112.2
_cell_angle_beta   112.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnIr2
_chemical_formula_sum   'Zr1 Zn1 Ir2'
_cell_volume   63.9
_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  0.23  0.15  0.23  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.15  0.23  0.23  1.0
  Ir  Ir3  1  0.31  0.31  0.31  1.0

Zr Zn Ir Ir