data_FeCuOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   130.98
_cell_angle_beta   130.98
_cell_angle_gamma   71.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCuOs2
_chemical_formula_sum   'Fe1 Cu1 Os2'
_cell_volume   52.18
_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
  Cu  Cu0  1  0.0  0.0  0.68  1.0
  Os  Os2  1  0.88  0.0  0.84  1.0
  Os  Os3  1  0.0  0.88  0.84  1.0

data_FeCuOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   125.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeCuOs2
_chemical_formula_sum   'Fe2 Cu2 Os4'
_cell_volume   104.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cu  Cu1  2  0.0  0.0  0.68  1.0
  Os  Os2  4  0.06  0.06  0.95  1.0

Fe Cu Os Os
Fe Cu Os Os 0 2 - o - 0 3 o - - 1 2 - o o 1 3 o - o 2 3 + - o 
Os2FeCu is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Os2FeCu clusters. Os(1) is bonded in a distorted single-bond geometry to one Os(1), one Fe(1), and one Cu(1) atom. The Os(1)-Os(1) bond length is 0.62 Å. The Os(1)-Fe(1) bond length is 0.56 Å. The Os(1)-Cu(1) bond length is 1.15 Å. Fe(1) is bonded in a 2-coordinate geometry to two equivalent Os(1) atoms. Cu(1) is bonded in a 2-coordinate geometry to two equivalent Os(1) atoms.