data_SrCa3Mn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   15.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa3Mn4O12
_chemical_formula_sum   'Sr1 Ca3 Mn4 O12'
_cell_volume   224.71
_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  0.92  0.92  0.64  1.0
  Ca  Ca1  1  0.92  0.92  0.47  1.0
  Ca  Ca2  1  0.92  0.92  0.0  1.0
  Ca  Ca3  1  0.92  0.92  0.82  1.0
  Mn  Mn4  1  0.0  0.0  0.71  1.0
  Mn  Mn5  1  0.0  0.0  0.58  1.0
  Mn  Mn6  1  0.0  0.0  0.38  1.0
  Mn  Mn7  1  0.0  0.0  0.9  1.0
  O  O8  1  0.0  0.0  0.64  1.0
  O  O9  1  0.0  0.0  0.49  1.0
  O  O10  1  0.0  0.0  0.0  1.0
  O  O11  1  0.0  0.0  0.79  1.0
  O  O12  1  0.92  0.0  0.66  1.0
  O  O13  1  0.92  0.0  0.63  1.0
  O  O14  1  0.92  0.0  0.39  1.0
  O  O15  1  0.92  0.0  0.9  1.0
  O  O16  1  0.0  0.92  0.66  1.0
  O  O17  1  0.0  0.92  0.63  1.0
  O  O18  1  0.0  0.92  0.39  1.0
  O  O19  1  0.0  0.92  0.9  1.0

data_SrCa3Mn4O12
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   15.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrCa3Mn4O12
_chemical_formula_sum   'Sr2 Ca6 Mn8 O24'
_cell_volume   449.42
_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
  Sr  Sr0  2  0.42  0.5  0.64  1.0
  Ca  Ca1  2  0.42  0.5  -0.0  1.0
  Ca  Ca2  2  0.42  0.5  0.47  1.0
  Ca  Ca3  2  0.42  0.5  0.82  1.0
  Mn  Mn4  2  0.0  0.0  0.38  1.0
  Mn  Mn5  2  0.0  0.0  0.58  1.0
  Mn  Mn6  2  0.0  0.0  0.71  1.0
  Mn  Mn7  2  0.0  0.0  0.9  1.0
  O  O8  4  0.46  0.46  0.39  1.0
  O  O9  4  0.46  0.46  0.63  1.0
  O  O10  4  0.46  0.46  0.66  1.0
  O  O11  4  0.46  0.46  0.9  1.0
  O  O12  2  0.0  0.0  0.0  1.0
  O  O13  2  0.0  0.0  0.49  1.0
  O  O14  2  0.0  0.0  0.64  1.0
  O  O15  2  0.0  0.0  0.79  1.0

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