data_Fe2IrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   2.86
_cell_angle_alpha   92.52
_cell_angle_beta   92.52
_cell_angle_gamma   110.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2IrSe
_chemical_formula_sum   'Fe2 Ir1 Se1'
_cell_volume   56.22
_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  0.2  0.11  0.43  1.0
  Fe  Fe1  1  0.2  0.89  0.43  1.0
  Ir  Ir2  1  0.62  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Fe2IrSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   110.51
_cell_angle_beta   92.52
_cell_angle_gamma   92.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2IrSe
_chemical_formula_sum   'Fe2 Ir1 Se1'
_cell_volume   56.22
_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  0.43  0.2  0.11  1.0
  Fe  Fe1  1  0.43  0.2  0.89  1.0
  Ir  Ir2  1  0.0  0.62  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Fe Fe Ir Se