data_ZnSiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   143.35
_cell_angle_beta   135.03
_cell_angle_gamma   59.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSiIr
_chemical_formula_sum   'Zn1 Si1 Ir1'
_cell_volume   41.2
_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  0.0  0.0  0.35  1.0
  Si  Si1  1  0.0  0.0  0.77  1.0
  Ir  Ir0  1  0.0  0.0  0.94  1.0

data_ZnSiIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   3.53
_cell_length_c   4.62
_cell_angle_alpha   112.48
_cell_angle_beta   108.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSiIr
_chemical_formula_sum   'Zn1 Si1 Ir1'
_cell_volume   41.2
_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  0.35  0.35  1.0
  Si  Si1  1  0.0  0.77  0.77  1.0
  Ir  Ir2  1  0.0  0.94  0.94  1.0

Zn Si Ir
Zn Si Ir 0 2 o o - 0 1 o o o 1 2 o o o 