data_ZnSnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSnIr2
_chemical_formula_sum   'Zn1 Sn1 Ir2'
_cell_volume   69.63
_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
  Zn  Zn3  1  0.0  0.0  0.57  1.0
  Sn  Sn2  1  0.46  0.46  0.85  1.0
  Ir  Ir0  1  0.46  0.46  0.03  1.0
  Ir  Ir1  1  0.0  0.0  0.84  1.0

data_ZnSnIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnSnIr2
_chemical_formula_sum   'Zn2 Sn2 Ir4'
_cell_volume   139.25
_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
  Zn  Zn0  2  0.0  0.0  0.57  1.0
  Sn  Sn1  2  0.46  0.0  0.85  1.0
  Ir  Ir2  2  0.0  0.0  0.84  1.0
  Ir  Ir3  2  0.46  0.0  0.03  1.0

Zn Sn Ir Ir
Zn Sn Ir Ir 0 1 - o o 0 1 o - o 0 1 o o o 0 0 + o o 0 0 o + o 0 3 o o o 1 2 o o + 1 3 + + o 1 3 + o o 1 3 o + o 1 3 o o o 2 3 o o - 