data_FeGeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   2.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGeIr2
_chemical_formula_sum   'Fe1 Ge1 Ir2'
_cell_volume   54.26
_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
  Ge  Ge1  1  0.76  0.0  0.0  1.0
  Ir  Ir2  1  0.38  0.22  0.39  1.0
  Ir  Ir3  1  0.38  0.78  0.39  1.0

data_FeGeIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   104.38
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGeIr2
_chemical_formula_sum   'Fe1 Ge1 Ir2'
_cell_volume   54.26
_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
  Ge  Ge1  1  -0.0  0.76  0.0  1.0
  Ir  Ir2  1  0.39  0.38  0.22  1.0
  Ir  Ir3  1  0.39  0.38  0.78  1.0

Fe Ge Ir Ir
Fe Ge Ir Ir 0 1 - o o 0 2 o o o 0 2 o o - 0 3 o - o 1 2 o o o 1 3 o - o 1 3 o - - 2 3 o o o 2 3 o - o 