data_Ca7MgMn7FeO24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62
_cell_length_b   7.62
_cell_length_c   7.62
_cell_angle_alpha   89.99
_cell_angle_beta   89.99
_cell_angle_gamma   89.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca7MgMn7FeO24
_chemical_formula_sum   'Ca7 Mg1 Mn7 Fe1 O24'
_cell_volume   441.7
_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  0.89  0.5  1.0
  Ca  Ca1  1  0.31  0.44  0.7  1.0
  Ca  Ca2  1  0.31  0.56  0.5  1.0
  Ca  Ca3  1  0.69  0.44  0.7  1.0
  Ca  Ca4  1  0.0  0.0  0.9  1.0
  Ca  Ca5  1  0.69  0.56  0.5  1.0
  Ca  Ca6  1  0.0  0.11  0.7  1.0
  Mg  Mg7  1  0.0  0.0  0.3  1.0
  Mn  Mn8  1  0.31  0.55  0.2  1.0
  Mn  Mn9  1  0.0  0.9  0.2  1.0
  Mn  Mn10  1  0.31  0.45  0.4  1.0
  Mn  Mn11  1  0.69  0.55  0.2  1.0
  Mn  Mn12  1  0.0  0.1  0.4  1.0
  Mn  Mn13  1  0.69  0.45  0.4  1.0
  Mn  Mn14  1  0.0  0.0  0.59  1.0
  Fe  Fe15  1  0.0  0.0  0.01  1.0
  O  O16  1  0.36  0.78  0.14  1.0
  O  O17  1  0.67  0.31  0.3  1.0
  O  O18  1  0.34  0.69  0.3  1.0
  O  O19  1  0.67  0.23  0.48  1.0
  O  O20  1  0.02  0.32  0.28  1.0
  O  O21  1  0.34  0.88  0.49  1.0
  O  O22  1  0.03  0.22  0.49  1.0
  O  O23  1  0.35  0.78  0.69  1.0
  O  O24  1  0.0  0.36  0.28  1.0
  O  O25  1  0.31  0.9  0.49  1.0
  O  O26  1  0.0  0.44  0.14  1.0
  O  O27  1  0.33  1.0  0.3  1.0
  O  O28  1  0.69  0.9  0.49  1.0
  O  O29  1  0.0  0.45  0.69  1.0
  O  O30  1  0.67  1.0  0.3  1.0
  O  O31  1  0.0  0.54  0.48  1.0
  O  O32  1  0.64  0.78  0.14  1.0
  O  O33  1  0.98  0.32  0.28  1.0
  O  O34  1  0.66  0.69  0.3  1.0
  O  O35  1  0.97  0.22  0.49  1.0
  O  O36  1  0.33  0.31  0.3  1.0
  O  O37  1  0.66  0.88  0.49  1.0
  O  O38  1  0.33  0.23  0.48  1.0
  O  O39  1  0.65  0.78  0.69  1.0

data_Ca7MgMn7FeO24
_symmetry_space_group_name_H-M   Pm
_cell_length_a   7.62
_cell_length_b   7.62
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ca7MgMn7FeO24
_chemical_formula_sum   'Ca7 Mg1 Mn7 Fe1 O24'
_cell_volume   441.7
_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  0.44  0.31  0.3  1.0
  Ca  Ca1  2  0.56  0.31  0.5  1.0
  Ca  Ca2  1  0.0  0.0  0.1  1.0
  Ca  Ca3  1  0.11  0.0  0.3  1.0
  Ca  Ca4  1  0.89  0.0  0.5  1.0
  Mg  Mg5  1  0.0  0.0  0.7  1.0
  Mn  Mn6  2  0.45  0.31  0.6  1.0
  Mn  Mn7  2  0.55  0.31  0.8  1.0
  Mn  Mn8  1  0.0  0.0  0.41  1.0
  Mn  Mn9  1  0.1  0.0  0.6  1.0
  Mn  Mn10  1  0.9  0.0  0.8  1.0
  Fe  Fe11  1  0.0  0.0  0.99  1.0
  O  O12  2  0.22  0.03  0.51  1.0
  O  O13  2  0.23  0.33  0.52  1.0
  O  O14  2  0.31  0.33  0.7  1.0
  O  O15  2  0.32  0.02  0.72  1.0
  O  O16  2  0.69  0.34  0.7  1.0
  O  O17  2  0.78  0.35  0.31  1.0
  O  O18  2  0.78  0.36  0.86  1.0
  O  O19  2  0.88  0.34  0.51  1.0
  O  O20  2  0.9  0.31  0.51  1.0
  O  O21  2  1.0  0.33  0.7  1.0
  O  O22  1  0.36  0.0  0.72  1.0
  O  O23  1  0.44  0.0  0.86  1.0
  O  O24  1  0.45  0.0  0.31  1.0
  O  O25  1  0.54  0.0  0.52  1.0

Ca Ca Ca Ca Ca Ca Ca Mg Mn Mn Mn Mn Mn Mn Mn Fe O O O O O O O O O O O O O O O O O O O O O O O O