data_BaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaC2
_chemical_formula_sum   'Ba2 C4'
_cell_volume   106.58
_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  0.72  0.0  0.74  1.0
  Ba  Ba1  1  0.0  0.72  0.26  1.0
  C  C2  1  0.0  0.0  0.0  1.0
  C  C3  1  0.72  0.72  0.0  1.0
  C  C4  1  0.72  0.0  0.42  1.0
  C  C5  1  0.0  0.72  0.58  1.0

data_BaC2
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   BaC2
_chemical_formula_sum   'Ba4 C8'
_cell_volume   213.16
_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  0.14  0.0  0.26  1.0
  C  C1  4  0.0  0.14  0.0  1.0
  C  C2  4  0.14  0.0  0.58  1.0

Ba Ba C C C C
Ba Ba C C C C 0 5 + - o 0 3 o - + 0 2 + o + 1 3 - o o 1 4 - + o 1 2 o + o 2 3 - - o 4 5 + - o 