data_ZnSnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   2.95
_cell_angle_alpha   105.67
_cell_angle_beta   105.67
_cell_angle_gamma   112.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSnIr2
_chemical_formula_sum   'Zn1 Sn1 Ir2'
_cell_volume   65.99
_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  0.0  1.0
  Sn  Sn2  1  0.92  0.0  0.0  1.0
  Ir  Ir0  1  0.74  0.19  0.29  1.0
  Ir  Ir1  1  0.74  0.81  0.29  1.0

data_ZnSnIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.11
_cell_length_c   5.26
_cell_angle_alpha   118.63
_cell_angle_beta   105.67
_cell_angle_gamma   91.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSnIr2
_chemical_formula_sum   'Zn1 Sn1 Ir2'
_cell_volume   65.99
_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  Zn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.92  1.0
  Ir  Ir2  1  0.1  0.81  0.55  1.0
  Ir  Ir3  1  0.48  0.19  0.93  1.0

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