data_BaAlCr4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   10.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAlCr4O7
_chemical_formula_sum   'Ba2 Al2 Cr8 O14'
_cell_volume   338.28
_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  0.05  0.76  0.13  1.0
  Ba  Ba1  1  0.0  0.53  0.36  1.0
  Al  Al2  1  0.05  0.76  0.11  1.0
  Al  Al3  1  0.0  0.53  0.88  1.0
  Cr  Cr4  1  0.62  0.86  0.96  1.0
  Cr  Cr5  1  0.57  0.43  0.19  1.0
  Cr  Cr6  1  0.0  0.71  0.19  1.0
  Cr  Cr7  1  0.05  0.58  0.96  1.0
  Cr  Cr8  1  0.48  0.86  0.96  1.0
  Cr  Cr9  1  0.43  0.43  0.19  1.0
  Cr  Cr10  1  0.0  0.0  0.83  1.0
  Cr  Cr11  1  0.0  0.0  0.07  1.0
  O  O12  1  0.41  0.98  0.39  1.0
  O  O13  1  0.36  0.31  0.15  1.0
  O  O14  1  0.0  0.96  0.15  1.0
  O  O15  1  0.05  0.33  0.39  1.0
  O  O16  1  0.7  0.98  0.39  1.0
  O  O17  1  0.64  0.31  0.15  1.0
  O  O18  1  0.0  0.0  0.17  1.0
  O  O19  1  0.0  0.0  0.93  1.0
  O  O20  1  0.41  0.71  0.78  1.0
  O  O21  1  0.47  0.58  0.01  1.0
  O  O22  1  0.05  0.13  0.01  1.0
  O  O23  1  0.0  0.16  0.78  1.0
  O  O24  1  0.64  0.58  0.01  1.0
  O  O25  1  0.59  0.71  0.78  1.0

data_BaAlCr4O7
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   10.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAlCr4O7
_chemical_formula_sum   'Ba2 Al2 Cr8 O14'
_cell_volume   338.28
_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  0.53  0.36  1.0
  Ba  Ba1  1  0.05  0.76  0.13  1.0
  Al  Al2  1  0.0  0.53  0.88  1.0
  Al  Al3  1  0.05  0.76  0.11  1.0
  Cr  Cr4  1  0.0  0.0  0.07  1.0
  Cr  Cr5  1  0.0  0.0  0.83  1.0
  Cr  Cr6  1  0.0  0.71  0.19  1.0
  Cr  Cr7  1  0.05  0.58  0.96  1.0
  Cr  Cr8  1  0.43  0.43  0.19  1.0
  Cr  Cr9  1  0.48  0.86  0.96  1.0
  Cr  Cr10  1  0.57  0.43  0.19  1.0
  Cr  Cr11  1  0.62  0.86  0.96  1.0
  O  O12  1  0.0  0.0  0.17  1.0
  O  O13  1  0.0  0.0  0.93  1.0
  O  O14  1  0.0  0.16  0.78  1.0
  O  O15  1  0.0  0.96  0.15  1.0
  O  O16  1  0.05  0.13  0.01  1.0
  O  O17  1  0.05  0.33  0.39  1.0
  O  O18  1  0.36  0.31  0.15  1.0
  O  O19  1  0.41  0.98  0.39  1.0
  O  O20  1  0.41  0.71  0.78  1.0
  O  O21  1  0.47  0.58  0.01  1.0
  O  O22  1  0.59  0.71  0.78  1.0
  O  O23  1  0.64  0.58  0.01  1.0
  O  O24  1  0.64  0.31  0.15  1.0
  O  O25  1  0.7  0.98  0.39  1.0

Ba Ba Al Al Cr Cr Cr Cr Cr Cr Cr Cr O O O O O O O O O O O O O O