data_ZnAg2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   4.24
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAg2Ir
_chemical_formula_sum   'Zn1 Ag2 Ir1'
_cell_volume   64.25
_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
  Ag  Ag0  1  0.38  0.12  0.37  1.0
  Ag  Ag1  1  0.38  0.12  0.12  1.0
  Ir  Ir2  1  0.0  0.0  0.75  1.0

data_ZnAg2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.24
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAg2Ir
_chemical_formula_sum   'Zn1 Ag2 Ir1'
_cell_volume   64.25
_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
  Ag  Ag1  1  0.38  0.12  0.12  1.0
  Ag  Ag2  1  0.38  0.12  0.37  1.0
  Ir  Ir3  1  0.0  0.0  0.75  1.0

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