data_SrCa7Mn6Al2O23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.7
_cell_length_b   7.57
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa7Mn6Al2O23
_chemical_formula_sum   'Sr1 Ca7 Mn6 Al2 O23'
_cell_volume   441.76
_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
  Sr  Sr0  1  0.85  0.0  0.71  1.0
  Ca  Ca1  1  0.0  0.0  0.77  1.0
  Ca  Ca2  1  0.85  0.41  0.37  1.0
  Ca  Ca3  1  0.0  0.41  0.36  1.0
  Ca  Ca4  1  0.85  0.59  0.37  1.0
  Ca  Ca5  1  0.0  0.59  0.36  1.0
  Ca  Ca6  1  0.85  0.0  0.96  1.0
  Ca  Ca7  1  0.0  0.0  0.94  1.0
  Mn  Mn8  1  0.96  0.66  0.04  1.0
  Mn  Mn9  1  0.74  0.66  0.04  1.0
  Mn  Mn10  1  0.96  0.34  0.04  1.0
  Mn  Mn11  1  0.74  0.34  0.04  1.0
  Mn  Mn12  1  0.92  0.0  0.37  1.0
  Mn  Mn13  1  0.78  0.0  0.37  1.0
  Al  Al14  1  0.74  0.0  0.7  1.0
  Al  Al15  1  0.96  0.0  0.7  1.0
  O  O16  1  0.0  0.0  0.68  1.0
  O  O17  1  0.85  0.65  0.01  1.0
  O  O18  1  0.0  0.65  0.04  1.0
  O  O19  1  0.85  0.35  0.01  1.0
  O  O20  1  0.0  0.35  0.04  1.0
  O  O21  1  0.85  0.0  0.4  1.0
  O  O22  1  0.0  0.0  0.37  1.0
  O  O23  1  0.07  0.96  0.63  1.0
  O  O24  1  0.63  0.96  0.63  1.0
  O  O25  1  0.87  0.64  0.04  1.0
  O  O26  1  0.83  0.64  0.04  1.0
  O  O27  1  0.12  0.72  0.41  1.0
  O  O28  1  0.58  0.72  0.41  1.0
  O  O29  1  0.89  0.33  0.7  1.0
  O  O30  1  0.81  0.33  0.7  1.0
  O  O31  1  0.07  0.04  0.63  1.0
  O  O32  1  0.63  0.04  0.63  1.0
  O  O33  1  0.12  0.28  0.41  1.0
  O  O34  1  0.58  0.28  0.41  1.0
  O  O35  1  0.87  0.36  0.04  1.0
  O  O36  1  0.83  0.36  0.04  1.0
  O  O37  1  0.89  0.67  0.7  1.0
  O  O38  1  0.81  0.67  0.7  1.0

data_SrCa7Mn6Al2O23
_symmetry_space_group_name_H-M   Pm
_cell_length_a   7.57
_cell_length_b   7.57
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrCa7Mn6Al2O23
_chemical_formula_sum   'Sr1 Ca7 Mn6 Al2 O23'
_cell_volume   441.76
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Sr  Sr0  1  0.71  0.0  0.85  1.0
  Ca  Ca1  2  0.36  0.41  0.0  1.0
  Ca  Ca2  2  0.37  0.41  0.85  1.0
  Ca  Ca3  1  0.77  0.0  0.0  1.0
  Ca  Ca4  1  0.94  0.0  0.0  1.0
  Ca  Ca5  1  0.96  0.0  0.85  1.0
  Mn  Mn6  2  0.04  0.34  0.74  1.0
  Mn  Mn7  2  0.04  0.34  0.96  1.0
  Mn  Mn8  1  0.37  0.0  0.78  1.0
  Mn  Mn9  1  0.37  0.0  0.92  1.0
  Al  Al10  1  0.7  0.0  0.74  1.0
  Al  Al11  1  0.7  0.0  0.96  1.0
  O  O12  2  0.01  0.35  0.85  1.0
  O  O13  2  0.04  0.35  0.0  1.0
  O  O14  2  0.04  0.36  0.83  1.0
  O  O15  2  0.04  0.36  0.87  1.0
  O  O16  2  0.41  0.28  0.12  1.0
  O  O17  2  0.41  0.28  0.58  1.0
  O  O18  2  0.63  0.04  0.07  1.0
  O  O19  2  0.63  0.04  0.63  1.0
  O  O20  2  0.7  0.33  0.81  1.0
  O  O21  2  0.7  0.33  0.89  1.0
  O  O22  1  0.37  0.0  0.0  1.0
  O  O23  1  0.4  0.0  0.85  1.0
  O  O24  1  0.68  0.0  0.0  1.0

Sr Ca Ca Ca Ca Ca Ca Ca Mn Mn Mn Mn Mn Mn Al Al O O O O O O O O O O O O O O O O O O O O O O O