data_Ba4C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26
_cell_length_b   8.26
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4C5
_chemical_formula_sum   'Ba8 C10'
_cell_volume   408.41
_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  0.0  0.0  0.46  1.0
  Ba  Ba1  1  0.0  0.0  0.0  1.0
  Ba  Ba2  1  0.68  0.91  0.19  1.0
  Ba  Ba3  1  0.9  0.0  0.19  1.0
  Ba  Ba4  1  0.55  0.24  0.19  1.0
  Ba  Ba5  1  0.45  0.24  0.73  1.0
  Ba  Ba6  1  0.36  0.0  0.73  1.0
  Ba  Ba7  1  0.32  0.91  0.73  1.0
  C  C8  1  0.02  0.23  0.19  1.0
  C  C9  1  0.21  0.0  0.19  1.0
  C  C10  1  0.89  0.92  0.19  1.0
  C  C11  1  0.11  0.92  0.73  1.0
  C  C12  1  0.04  0.0  0.73  1.0
  C  C13  1  0.98  0.23  0.73  1.0
  C  C14  1  0.0  0.77  0.46  1.0
  C  C15  1  0.13  0.38  0.0  1.0
  C  C16  1  0.13  0.38  0.46  1.0
  C  C17  1  0.0  0.77  0.0  1.0

data_Ba4C5
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.92
_cell_length_b   8.26
_cell_length_c   8.26
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4C5
_chemical_formula_sum   'Ba8 C10'
_cell_volume   408.41
_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  0.0  0.0  0.0  1.0
  Ba  Ba1  1  0.19  0.55  0.24  1.0
  Ba  Ba2  1  0.19  0.68  0.91  1.0
  Ba  Ba3  1  0.19  0.9  0.0  1.0
  Ba  Ba4  1  0.46  0.0  0.0  1.0
  Ba  Ba5  1  0.73  0.32  0.91  1.0
  Ba  Ba6  1  0.73  0.36  0.0  1.0
  Ba  Ba7  1  0.73  0.45  0.24  1.0
  C  C8  1  -0.0  0.13  0.38  1.0
  C  C9  1  0.0  0.0  0.77  1.0
  C  C10  1  0.19  0.02  0.23  1.0
  C  C11  1  0.19  0.21  0.0  1.0
  C  C12  1  0.19  0.89  0.92  1.0
  C  C13  1  0.46  0.0  0.77  1.0
  C  C14  1  0.46  0.13  0.38  1.0
  C  C15  1  0.73  0.04  0.0  1.0
  C  C16  1  0.73  0.11  0.92  1.0
  C  C17  1  0.73  0.98  0.23  1.0

Ba Ba Ba Ba Ba Ba Ba Ba C C C C C C C C C C
Ba Ba Ba Ba Ba Ba Ba Ba C C C C C C C C C C 0 10 - - o 0 3 - o o 0 14 o - o 0 11 o - o 0 12 o o o 0 9 o o o 1 10 - - o 1 3 - o o 1 9 o o o 1 17 o - o 2 3 o + o 2 10 o o o 3 10 o - o 3 8 + o o 3 9 + o o 4 9 o o o 5 6 o o o 6 7 o - o 8 15 o o o 8 16 o o o 9 17 o - o 9 14 o - o 9 10 - - o 10 17 + o o 11 12 o + o 11 14 o o o 11 17 o o + 12 13 - o o 13 16 + o o 13 15 + o + 