data_Sm3GaC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3GaC
_chemical_formula_sum   'Sm3 Ga1 C1'
_cell_volume   124.12
_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
  Sm  Sm2  1  0.0  0.0  0.49  1.0
  Sm  Sm3  1  0.0  0.49  0.0  1.0
  Sm  Sm4  1  0.49  0.0  0.0  1.0
  Ga  Ga1  1  0.49  0.49  0.49  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_Sm3GaC
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   8.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sm3GaC
_chemical_formula_sum   'Sm9 Ga3 C3'
_cell_volume   372.36
_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
  Sm  Sm0  9  0.17  0.34  0.83  1.0
  Ga  Ga1  3  0.0  0.0  0.49  1.0
  C  C2  3  0.0  0.0  0.0  1.0

Sm Sm Sm Ga C
Sm3GaC is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Sm(1) is bonded in a linear geometry to four equivalent Ga(1) and two equivalent C(1) atoms. There are a spread of Sm(1)-Ga(1) bond distances ranging from 3.49-3.57 Å. There is one shorter (2.46 Å) and one longer (2.52 Å) Sm(1)-C(1) bond length. Ga(1) is bonded to twelve equivalent Sm(1) atoms to form GaSm12 cuboctahedra that share corners with twelve equivalent Ga(1)Sm12 cuboctahedra, faces with six equivalent Ga(1)Sm12 cuboctahedra, and faces with eight equivalent C(1)Sm6 octahedra. C(1) is bonded to six equivalent Sm(1) atoms to form CSm6 octahedra that share corners with six equivalent C(1)Sm6 octahedra and faces with eight equivalent Ga(1)Sm12 cuboctahedra. The corner-sharing octahedra are not tilted.