data_BaAlCo4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   9.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAlCo4O7
_chemical_formula_sum   'Ba2 Al2 Co8 O14'
_cell_volume   316.91
_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  0.03  0.75  0.03  1.0
  Ba  Ba1  1  0.0  0.5  0.06  1.0
  Al  Al2  1  0.03  0.75  0.75  1.0
  Al  Al3  1  0.0  0.5  0.78  1.0
  Co  Co4  1  0.45  0.94  0.88  1.0
  Co  Co5  1  0.41  0.32  0.84  1.0
  Co  Co6  1  0.0  0.87  0.84  1.0
  Co  Co7  1  0.03  0.38  0.88  1.0
  Co  Co8  1  0.62  0.94  0.88  1.0
  Co  Co9  1  0.59  0.32  0.84  1.0
  Co  Co10  1  0.0  0.0  0.41  1.0
  Co  Co11  1  0.0  0.0  0.38  1.0
  O  O12  1  0.42  0.95  0.89  1.0
  O  O13  1  0.38  0.3  0.92  1.0
  O  O14  1  0.0  0.91  0.92  1.0
  O  O15  1  0.03  0.35  0.89  1.0
  O  O16  1  0.65  0.95  0.89  1.0
  O  O17  1  0.62  0.3  0.92  1.0
  O  O18  1  0.0  0.0  0.42  1.0
  O  O19  1  0.0  0.0  0.46  1.0
  O  O20  1  0.39  0.7  0.65  1.0
  O  O21  1  0.43  0.56  0.62  1.0
  O  O22  1  0.03  0.15  0.62  1.0
  O  O23  1  0.0  0.11  0.65  1.0
  O  O24  1  0.64  0.56  0.62  1.0
  O  O25  1  0.61  0.7  0.65  1.0

data_BaAlCo4O7
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   9.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAlCo4O7
_chemical_formula_sum   'Ba2 Al2 Co8 O14'
_cell_volume   316.91
_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  0.5  0.06  1.0
  Ba  Ba1  1  0.03  0.75  0.03  1.0
  Al  Al2  1  0.0  0.5  0.78  1.0
  Al  Al3  1  0.03  0.75  0.75  1.0
  Co  Co4  1  0.0  0.0  0.38  1.0
  Co  Co5  1  0.0  0.0  0.41  1.0
  Co  Co6  1  0.0  0.87  0.84  1.0
  Co  Co7  1  0.03  0.38  0.88  1.0
  Co  Co8  1  0.41  0.32  0.84  1.0
  Co  Co9  1  0.45  0.94  0.88  1.0
  Co  Co10  1  0.59  0.32  0.84  1.0
  Co  Co11  1  0.62  0.94  0.88  1.0
  O  O12  1  0.0  0.0  0.42  1.0
  O  O13  1  0.0  0.0  0.46  1.0
  O  O14  1  0.0  0.11  0.65  1.0
  O  O15  1  0.0  0.91  0.92  1.0
  O  O16  1  0.03  0.15  0.62  1.0
  O  O17  1  0.03  0.35  0.89  1.0
  O  O18  1  0.38  0.3  0.92  1.0
  O  O19  1  0.39  0.7  0.65  1.0
  O  O20  1  0.42  0.95  0.89  1.0
  O  O21  1  0.43  0.56  0.62  1.0
  O  O22  1  0.61  0.7  0.65  1.0
  O  O23  1  0.62  0.3  0.92  1.0
  O  O24  1  0.64  0.56  0.62  1.0
  O  O25  1  0.65  0.95  0.89  1.0

Ba Ba Al Al Co Co Co Co Co Co Co Co O O O O O O O O O O O O O O
Ba Ba Al Al Co Co Co Co Co Co Co Co O O O O O O O O O O O O O O 0 14 o o - 0 1 o o o 2 6 o o o 2 3 o o o 3 15 o o o 3 7 o o o 4 12 o o o 5 13 o o o 6 14 o o o 7 15 o o o 8 16 o o o 9 17 o o o 10 18 o o o 10 11 o o o 18 19 o o o 20 21 o o o 21 25 o o o 22 23 o o o 24 25 o o o 