data_Ba4Nd4Co8O23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83
_cell_length_b   7.83
_cell_length_c   7.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Nd4Co8O23
_chemical_formula_sum   'Ba4 Nd4 Co8 O23'
_cell_volume   464.74
_cell_formula_units_Z   1
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  0.87  0.87  0.0  1.0
  Ba  Ba1  1  0.96  0.87  0.0  1.0
  Ba  Ba2  1  0.87  0.96  0.0  1.0
  Ba  Ba3  1  0.96  0.96  0.0  1.0
  Nd  Nd12  1  0.96  0.96  0.79  1.0
  Nd  Nd13  1  0.87  0.96  0.79  1.0
  Nd  Nd14  1  0.96  0.87  0.79  1.0
  Nd  Nd15  1  0.87  0.87  0.79  1.0
  Co  Co4  1  0.0  0.0  0.9  1.0
  Co  Co5  1  0.0  0.91  0.91  1.0
  Co  Co6  1  0.91  0.0  0.91  1.0
  Co  Co7  1  0.91  0.91  0.95  1.0
  Co  Co8  1  0.91  0.91  0.64  1.0
  Co  Co9  1  0.91  0.0  0.68  1.0
  Co  Co10  1  0.0  0.91  0.68  1.0
  Co  Co11  1  0.0  0.0  0.69  1.0
  O  O16  1  0.91  0.91  0.0  1.0
  O  O17  1  0.0  0.91  0.0  1.0
  O  O18  1  0.91  0.0  0.0  1.0
  O  O19  1  0.0  0.0  0.0  1.0
  O  O20  1  0.0  0.91  0.05  1.0
  O  O21  1  0.0  0.92  0.05  1.0
  O  O22  1  0.91  0.0  0.05  1.0
  O  O23  1  0.92  0.0  0.05  1.0
  O  O24  1  0.79  0.91  0.23  1.0
  O  O25  1  0.03  0.91  0.23  1.0
  O  O26  1  0.91  0.79  0.23  1.0
  O  O27  1  0.91  0.03  0.23  1.0
  O  O28  1  0.0  0.91  0.79  1.0
  O  O29  1  0.91  0.0  0.79  1.0
  O  O30  1  0.0  0.0  0.79  1.0
  O  O31  1  0.91  0.79  0.35  1.0
  O  O32  1  0.91  0.03  0.35  1.0
  O  O33  1  0.79  0.91  0.35  1.0
  O  O34  1  0.03  0.91  0.35  1.0
  O  O35  1  0.91  0.0  0.54  1.0
  O  O36  1  0.92  0.0  0.54  1.0
  O  O37  1  0.0  0.91  0.54  1.0
  O  O38  1  0.0  0.92  0.54  1.0

data_Ba4Nd4Co8O23
_symmetry_space_group_name_H-M   Cm
_cell_length_a   11.07
_cell_length_b   11.07
_cell_length_c   7.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba4Nd4Co8O23
_chemical_formula_sum   'Ba8 Nd8 Co16 O46'
_cell_volume   929.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  '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  0.41  0.45  0.0  1.0
  Ba  Ba1  2  0.37  0.5  0.0  1.0
  Ba  Ba2  2  0.46  0.5  0.0  1.0
  Nd  Nd3  4  0.41  0.46  0.79  1.0
  Nd  Nd4  2  0.37  0.5  0.79  1.0
  Nd  Nd5  2  0.46  0.5  0.79  1.0
  Co  Co6  4  0.46  0.46  0.91  1.0
  Co  Co7  4  0.46  0.46  0.68  1.0
  Co  Co8  2  0.0  0.0  0.69  1.0
  Co  Co9  2  0.0  0.0  0.9  1.0
  Co  Co10  2  0.41  0.5  0.64  1.0
  Co  Co11  2  0.41  0.5  0.95  1.0
  O  O12  4  0.35  0.44  0.35  1.0
  O  O13  4  0.35  0.44  0.23  1.0
  O  O14  4  0.45  0.45  0.05  1.0
  O  O15  4  0.45  0.45  0.54  1.0
  O  O16  4  0.46  0.46  -0.0  1.0
  O  O17  4  0.46  0.46  0.79  1.0
  O  O18  4  0.46  0.46  0.05  1.0
  O  O19  4  0.46  0.46  0.54  1.0
  O  O20  4  0.47  0.44  0.23  1.0
  O  O21  4  0.47  0.44  0.35  1.0
  O  O22  2  0.0  0.0  0.0  1.0
  O  O23  2  0.0  0.0  0.79  1.0
  O  O24  2  0.41  0.5  0.0  1.0

Ba Ba Ba Ba Nd Nd Nd Nd Co Co Co Co Co Co Co Co O O O O O O O O O O O O O O O O O O O O O O O
Ba Ba Ba Ba Nd Nd Nd Nd Co Co Co Co Co Co Co Co O O O O O O O O O O O O O O O O O O O O O O O 0 16 o o o 1 16 o o o 1 20 + o o 1 17 + o o 1 9 + o - 2 16 o o o 2 22 o + o 2 18 o + o 2 10 o + - 3 16 o o o 3 18 o + o 3 17 + o o 3 19 + + o 3 9 + o - 3 10 o + - 4 29 o + o 4 28 + o o 4 30 + + o 5 29 o + o 5 7 o o o 6 28 + o o 6 7 o o o 8 10 - o o 8 9 o - o 8 30 o o o 8 19 o o + 9 11 - o o 9 17 o o + 10 11 o - o 10 18 o o + 11 16 o o + 12 13 o + o 12 14 + o o 13 15 + o o 14 15 o + o 15 30 o o o 17 20 o o o 17 21 o o o 18 22 o o o 18 23 o o o 20 21 o o o 22 23 o o o 24 33 o o o 25 34 o o o 26 31 o o o 27 32 o o o 35 36 o o o 37 38 o o o 