data_SrZnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   148.63
_cell_angle_beta   126.05
_cell_angle_gamma   63.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZnIr2
_chemical_formula_sum   'Sr1 Zn1 Ir2'
_cell_volume   72.16
_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
  Sr  Sr2  1  0.0  0.0  0.73  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.51  0.0  0.1  1.0
  Ir  Ir1  1  0.0  0.53  0.63  1.0

data_SrZnIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   5.06
_cell_length_c   5.57
_cell_angle_alpha   116.98
_cell_angle_beta   105.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZnIr2
_chemical_formula_sum   'Sr1 Zn1 Ir2'
_cell_volume   72.16
_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
  Sr  Sr0  1  0.27  0.27  0.27  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.37  0.9  0.9  1.0
  Ir  Ir3  1  0.4  0.9  0.4  1.0

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