data_FeSi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   4.77
_cell_angle_alpha   100.86
_cell_angle_beta   100.86
_cell_angle_gamma   39.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2Ir
_chemical_formula_sum   'Fe1 Si2 Ir1'
_cell_volume   49.77
_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
  Si  Si2  1  0.21  0.0  0.62  1.0
  Si  Si3  1  0.49  0.0  0.06  1.0
  Ir  Ir1  1  0.35  0.0  0.34  1.0

data_FeSi2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.07
_cell_length_c   4.77
_cell_angle_alpha   100.86
_cell_angle_beta   90.0
_cell_angle_gamma   109.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2Ir
_chemical_formula_sum   'Fe1 Si2 Ir1'
_cell_volume   49.77
_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
  Si  Si1  1  0.0  0.51  0.94  1.0
  Si  Si2  1  0.0  0.79  0.38  1.0
  Ir  Ir3  1  0.0  0.65  0.66  1.0

Fe Si Si Ir