data_BaC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaC
_chemical_formula_sum   'Ba2 C2'
_cell_volume   94.28
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.43  0.0  0.46  1.0
  Ba  Ba1  1  0.0  0.43  0.53  1.0
  C  C2  1  0.43  0.43  0.0  1.0
  C  C3  1  0.0  0.0  0.0  1.0

data_BaC
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   4.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   BaC
_chemical_formula_sum   'Ba4 C4'
_cell_volume   188.56
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  Ba  Ba0  4  0.21  0.5  0.97  1.0
  C  C1  4  0.0  0.29  0.5  1.0

Ba Ba C C
BaC is beta-prime cadmium gold structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to eight equivalent C(1) atoms. There are a spread of Ba(1)-C(1) bond distances ranging from 2.79-3.51 Å. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to eight equivalent C(1) atoms. There are a spread of Ba(2)-C(1) bond distances ranging from 2.80-3.50 Å. C(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Ba(2) atoms.