data_ZrZnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   147.93
_cell_angle_beta   147.93
_cell_angle_gamma   45.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnIr
_chemical_formula_sum   'Zr1 Zn1 Ir1'
_cell_volume   51.17
_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  0.86  1.0
  Zn  Zn1  1  0.0  0.0  0.66  1.0
  Ir  Ir0  1  0.0  0.0  0.36  1.0

data_ZrZnIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   112.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrZnIr
_chemical_formula_sum   'Zr2 Zn2 Ir2'
_cell_volume   102.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.36  0.5  0.86  1.0
  Zn  Zn1  2  0.16  0.5  0.66  1.0
  Ir  Ir2  2  0.36  0.0  0.36  1.0

Zr Zn Ir