data_FeCoIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.59
_cell_angle_alpha   99.86
_cell_angle_beta   99.86
_cell_angle_gamma   34.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoIr2
_chemical_formula_sum   'Fe1 Co1 Ir2'
_cell_volume   50.88
_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  0.0  0.0  0.0  1.0
  Co  Co0  1  0.85  0.0  0.26  1.0
  Ir  Ir2  1  0.52  0.0  0.39  1.0
  Ir  Ir3  1  0.18  0.0  0.12  1.0

data_FeCoIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.46
_cell_length_c   4.59
_cell_angle_alpha   99.86
_cell_angle_beta   90.0
_cell_angle_gamma   107.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoIr2
_chemical_formula_sum   'Fe1 Co1 Ir2'
_cell_volume   50.88
_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
  Co  Co1  1  0.0  0.15  0.74  1.0
  Ir  Ir2  1  0.0  0.48  0.61  1.0
  Ir  Ir3  1  0.0  0.82  0.88  1.0

Fe Co Ir Ir