data_Zn2InIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.65
_cell_angle_alpha   103.54
_cell_angle_beta   103.54
_cell_angle_gamma   36.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2InIr
_chemical_formula_sum   'Zn2 In1 Ir1'
_cell_volume   65.35
_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  Zn2  1  0.15  0.0  0.48  1.0
  Zn  Zn3  1  0.71  0.0  0.03  1.0
  In  In0  1  0.18  0.0  0.33  1.0
  Ir  Ir1  1  0.56  0.0  0.43  1.0

data_Zn2InIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.65
_cell_length_c   4.94
_cell_angle_alpha   103.54
_cell_angle_beta   108.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2InIr
_chemical_formula_sum   'Zn2 In1 Ir1'
_cell_volume   65.35
_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  0.03  0.71  1.0
  Zn  Zn1  1  0.0  0.48  0.15  1.0
  In  In2  1  0.0  0.33  0.18  1.0
  Ir  Ir3  1  0.0  0.43  0.56  1.0

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