data_ZnSbIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   2.99
_cell_angle_alpha   106.18
_cell_angle_beta   106.18
_cell_angle_gamma   112.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSbIr2
_chemical_formula_sum   'Zn1 Sb1 Ir2'
_cell_volume   66.98
_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
  Sb  Sb2  1  0.95  0.0  0.0  1.0
  Ir  Ir0  1  0.72  0.19  0.3  1.0
  Ir  Ir1  1  0.72  0.81  0.3  1.0

data_ZnSbIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.1
_cell_length_c   5.28
_cell_angle_alpha   118.7
_cell_angle_beta   106.18
_cell_angle_gamma   90.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSbIr2
_chemical_formula_sum   'Zn1 Sb1 Ir2'
_cell_volume   66.98
_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
  Sb  Sb1  1  -0.0  0.0  0.95  1.0
  Ir  Ir2  1  0.1  0.81  0.53  1.0
  Ir  Ir3  1  0.49  0.19  0.92  1.0

Zn Sb Ir Ir