data_ZnIrOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   2.71
_cell_angle_alpha   99.72
_cell_angle_beta   99.72
_cell_angle_gamma   118.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIrOs2
_chemical_formula_sum   'Zn1 Ir1 Os2'
_cell_volume   58.51
_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
  Ir  Ir0  1  0.61  0.0  0.0  1.0
  Os  Os1  1  0.86  0.81  0.28  1.0
  Os  Os2  1  0.86  0.19  0.28  1.0

data_ZnIrOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   5.03
_cell_length_c   5.1
_cell_angle_alpha   116.15
_cell_angle_beta   99.72
_cell_angle_gamma   101.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIrOs2
_chemical_formula_sum   'Zn1 Ir1 Os2'
_cell_volume   58.51
_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
  Ir  Ir1  1  0.0  0.0  0.61  1.0
  Os  Os2  1  0.09  0.81  0.67  1.0
  Os  Os3  1  0.47  0.19  0.05  1.0

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