data_Ba2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   13.65
_cell_angle_alpha   92.44
_cell_angle_beta   92.44
_cell_angle_gamma   57.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2C
_chemical_formula_sum   'Ba4 C2'
_cell_volume   213.48
_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  0.81  0.0  0.61  1.0
  Ba  Ba1  1  0.34  0.0  0.34  1.0
  Ba  Ba2  1  0.3  0.0  0.34  1.0
  Ba  Ba3  1  0.58  0.0  0.95  1.0
  C  C4  1  0.87  0.0  0.0  1.0
  C  C5  1  0.55  0.0  0.4  1.0

data_Ba2C
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.3
_cell_length_c   13.65
_cell_angle_alpha   92.44
_cell_angle_beta   90.0
_cell_angle_gamma   118.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2C
_chemical_formula_sum   'Ba4 C2'
_cell_volume   213.48
_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  0.19  0.39  1.0
  Ba  Ba1  1  0.0  0.42  0.05  1.0
  Ba  Ba2  1  0.0  0.66  0.66  1.0
  Ba  Ba3  1  0.0  0.7  0.66  1.0
  C  C4  1  0.0  0.13  1.0  1.0
  C  C5  1  0.0  0.45  0.6  1.0

Ba Ba Ba Ba C C