data_InFeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFeIr
_chemical_formula_sum   'In1 Fe1 Ir1'
_cell_volume   45.81
_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
  In  In1  1  0.0  0.65  0.09  1.0
  Fe  Fe0  1  0.0  0.0  0.39  1.0
  Ir  Ir2  1  0.43  0.82  0.49  1.0

data_InFeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFeIr
_chemical_formula_sum   'In1 Fe1 Ir1'
_cell_volume   45.81
_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
  In  In0  1  -0.0  0.65  0.09  1.0
  Fe  Fe1  1  0.0  0.0  0.39  1.0
  Ir  Ir2  1  0.43  0.82  0.49  1.0

In Fe Ir
In Fe Ir 0 0 + + o 0 0 o + o 0 0 + o o 0 1 o + o 0 1 o o o 0 2 o o o 1 2 - - o 1 2 o - o 