data_FeIr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeIr5
_chemical_formula_sum   'Fe1 Ir5'
_cell_volume   99.15
_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  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.53  0.46  0.0  1.0
  Ir  Ir2  1  0.0  0.92  0.0  1.0
  Ir  Ir3  1  0.73  0.19  0.23  1.0
  Ir  Ir4  1  0.27  0.19  0.23  1.0
  Ir  Ir5  1  0.53  0.0  0.23  1.0

data_FeIr5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeIr5
_chemical_formula_sum   'Fe1 Ir5'
_cell_volume   99.15
_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  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  -0.0  0.92  1.0
  Ir  Ir2  1  0.0  0.53  0.46  1.0
  Ir  Ir3  1  0.23  0.27  0.19  1.0
  Ir  Ir4  1  0.23  0.53  0.0  1.0
  Ir  Ir5  1  0.23  0.73  0.19  1.0

Fe Ir Ir Ir Ir Ir