data_RbCe2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbCe2Fe
_chemical_formula_sum   'Rb1 Ce2 Fe1'
_cell_volume   113.69
_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
  Rb  Rb3  1  0.85  0.85  0.85  1.0
  Ce  Ce0  1  0.92  0.92  0.92  1.0
  Ce  Ce1  1  0.77  0.77  0.77  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0

data_RbCe2Fe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   13.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   RbCe2Fe
_chemical_formula_sum   'Rb3 Ce6 Fe3'
_cell_volume   341.07
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Rb  Rb0  3  0.0  0.0  0.15  1.0
  Ce  Ce1  3  0.0  0.0  0.08  1.0
  Ce  Ce2  3  0.0  0.0  0.23  1.0
  Fe  Fe3  3  0.0  0.0  0.0  1.0

Rb Ce Ce Fe
Rb Ce Ce Fe 0 2 o o o 0 1 o o o 1 3 + + + 
RbCe2Fe is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three RbCe2Fe clusters. Rb(1) is bonded in a linear geometry to one Ce(1) and one Ce(2) atom. The Rb(1)-Ce(1) bond length is 1.03 Å. The Rb(1)-Ce(2) bond length is 1.03 Å. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a linear geometry to one Rb(1) and one Fe(1) atom. The Ce(1)-Fe(1) bond length is 1.03 Å. In the second Ce site, Ce(2) is bonded in a distorted single-bond geometry to one Rb(1) atom. Fe(1) is bonded in a single-bond geometry to one Ce(1) atom.