data_Ca7MgFeCo7O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56
_cell_length_b   7.56
_cell_length_c   7.56
_cell_angle_alpha   90.05
_cell_angle_beta   90.05
_cell_angle_gamma   90.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca7MgFeCo7O24
_chemical_formula_sum   'Ca7 Mg1 Fe1 Co7 O24'
_cell_volume   431.87
_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
  Ca  Ca0  1  0.0  0.91  0.45  1.0
  Ca  Ca1  1  0.32  0.45  0.63  1.0
  Ca  Ca2  1  0.32  0.55  0.45  1.0
  Ca  Ca3  1  0.68  0.45  0.63  1.0
  Ca  Ca4  1  0.0  0.0  0.82  1.0
  Ca  Ca5  1  0.68  0.55  0.45  1.0
  Ca  Ca6  1  0.0  0.09  0.63  1.0
  Mg  Mg7  1  0.0  0.0  0.25  1.0
  Fe  Fe8  1  0.0  0.0  0.01  1.0
  Co  Co9  1  0.33  0.54  0.18  1.0
  Co  Co10  1  0.0  0.92  0.18  1.0
  Co  Co11  1  0.33  0.46  0.36  1.0
  Co  Co12  1  0.67  0.54  0.18  1.0
  Co  Co13  1  0.0  0.08  0.36  1.0
  Co  Co14  1  0.67  0.46  0.36  1.0
  Co  Co15  1  0.0  0.0  0.54  1.0
  O  O16  1  0.35  0.78  0.14  1.0
  O  O17  1  0.66  0.28  0.26  1.0
  O  O18  1  0.31  0.7  0.26  1.0
  O  O19  1  0.7  0.25  0.44  1.0
  O  O20  1  0.98  0.3  0.26  1.0
  O  O21  1  0.35  0.86  0.46  1.0
  O  O22  1  0.02  0.24  0.46  1.0
  O  O23  1  0.32  0.76  0.6  1.0
  O  O24  1  0.0  0.4  0.26  1.0
  O  O25  1  0.33  0.9  0.46  1.0
  O  O26  1  0.0  0.44  0.14  1.0
  O  O27  1  0.35  0.02  0.26  1.0
  O  O28  1  0.67  0.9  0.46  1.0
  O  O29  1  0.0  0.48  0.6  1.0
  O  O30  1  0.65  0.02  0.26  1.0
  O  O31  1  0.0  0.5  0.44  1.0
  O  O32  1  0.65  0.78  0.14  1.0
  O  O33  1  0.02  0.3  0.26  1.0
  O  O34  1  0.69  0.7  0.26  1.0
  O  O35  1  0.98  0.24  0.46  1.0
  O  O36  1  0.34  0.28  0.26  1.0
  O  O37  1  0.65  0.86  0.46  1.0
  O  O38  1  0.3  0.25  0.44  1.0
  O  O39  1  0.68  0.76  0.6  1.0

data_Ca7MgFeCo7O24
_symmetry_space_group_name_H-M   Pm
_cell_length_a   7.56
_cell_length_b   7.56
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ca7MgFeCo7O24
_chemical_formula_sum   'Ca7 Mg1 Fe1 Co7 O24'
_cell_volume   431.87
_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
  Ca  Ca0  2  0.45  0.32  0.63  1.0
  Ca  Ca1  2  0.55  0.32  0.45  1.0
  Ca  Ca2  1  0.0  0.0  0.82  1.0
  Ca  Ca3  1  0.09  0.0  0.63  1.0
  Ca  Ca4  1  0.91  0.0  0.45  1.0
  Mg  Mg5  1  0.0  0.0  0.25  1.0
  Fe  Fe6  1  0.0  0.0  0.01  1.0
  Co  Co7  2  0.46  0.33  0.36  1.0
  Co  Co8  2  0.54  0.33  0.18  1.0
  Co  Co9  1  0.0  0.0  0.54  1.0
  Co  Co10  1  0.08  0.0  0.36  1.0
  Co  Co11  1  0.92  0.0  0.18  1.0
  O  O12  2  0.02  0.35  0.26  1.0
  O  O13  2  0.24  0.02  0.46  1.0
  O  O14  2  0.25  0.3  0.44  1.0
  O  O15  2  0.28  0.34  0.26  1.0
  O  O16  2  0.3  0.02  0.26  1.0
  O  O17  2  0.7  0.31  0.26  1.0
  O  O18  2  0.76  0.32  0.6  1.0
  O  O19  2  0.78  0.35  0.14  1.0
  O  O20  2  0.86  0.35  0.46  1.0
  O  O21  2  0.9  0.33  0.46  1.0
  O  O22  1  0.4  0.0  0.26  1.0
  O  O23  1  0.44  0.0  0.14  1.0
  O  O24  1  0.48  0.0  0.6  1.0
  O  O25  1  0.5  0.0  0.44  1.0

Ca Ca Ca Ca Ca Ca Ca Mg Fe 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 O