data_Fe2AgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   4.14
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   104.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2AgIr
_chemical_formula_sum   'Fe2 Ag1 Ir1'
_cell_volume   56.72
_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
  Fe  Fe1  1  0.38  0.07  0.01  1.0
  Fe  Fe2  1  0.01  0.0  0.35  1.0
  Ag  Ag0  1  0.6  0.0  0.95  1.0
  Ir  Ir3  1  0.8  0.07  0.32  1.0

data_Fe2AgIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.14
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   104.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2AgIr
_chemical_formula_sum   'Fe2 Ag1 Ir1'
_cell_volume   56.72
_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
  Fe  Fe0  1  0.01  0.0  0.35  1.0
  Fe  Fe1  1  0.38  0.07  0.01  1.0
  Ag  Ag2  1  0.6  0.0  0.95  1.0
  Ir  Ir3  1  0.8  0.07  0.32  1.0

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