data_MgIn3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn3C
_chemical_formula_sum   'Mg1 In3 C1'
_cell_volume   113.89
_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
  Mg  Mg0  1  0.42  0.42  0.42  1.0
  In  In2  1  0.0  0.42  0.0  1.0
  In  In3  1  0.0  0.0  0.42  1.0
  In  In4  1  0.42  0.0  0.0  1.0
  C  C1  1  0.0  0.0  0.0  1.0

data_MgIn3C
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   8.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgIn3C
_chemical_formula_sum   'Mg3 In9 C3'
_cell_volume   341.66
_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
  Mg  Mg0  3  0.0  0.0  0.42  1.0
  In  In1  9  0.19  0.38  0.81  1.0
  C  C2  3  0.0  0.0  0.0  1.0

Mg In In In C
Mg In In In C 0 4 o o o 0 2 o o o 0 2 o + o 0 2 + o o 0 1 o o o 0 1 o o + 0 1 + o o 0 3 o o o 0 3 o o + 0 3 o + o 1 4 o o o 2 4 o o o 3 4 o o o 
MgIn3C crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 9-coordinate geometry to nine equivalent In(1) atoms. There are three shorter (2.90 Å) and six longer (3.47 Å) Mg(1)-In(1) bond lengths. In(1) is bonded in a distorted single-bond geometry to three equivalent Mg(1) and two equivalent C(1) atoms. There is one shorter (2.05 Å) and one longer (2.79 Å) In(1)-C(1) bond length. C(1) is bonded to six equivalent In(1) atoms to form distorted corner-sharing CIn6 octahedra. The corner-sharing octahedra are not tilted.