data_SrSm3Mn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   7.76
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSm3Mn4O12
_chemical_formula_sum   'Sr1 Sm3 Mn4 O12'
_cell_volume   239.78
_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  0.68  0.0  0.6  1.0
  Sm  Sm1  1  0.4  0.88  0.31  1.0
  Sm  Sm2  1  0.79  0.88  0.16  1.0
  Sm  Sm3  1  0.06  0.0  0.34  1.0
  Mn  Mn4  1  0.72  0.82  0.02  1.0
  Mn  Mn5  1  1.0  0.83  0.82  1.0
  Mn  Mn6  1  1.0  0.93  0.82  1.0
  Mn  Mn7  1  0.72  0.94  0.02  1.0
  O  O8  1  0.25  0.34  0.51  1.0
  O  O9  1  0.52  0.69  0.02  1.0
  O  O10  1  0.11  0.64  0.07  1.0
  O  O11  1  0.9  0.36  0.67  1.0
  O  O12  1  0.11  0.12  0.07  1.0
  O  O13  1  0.9  0.4  0.67  1.0
  O  O14  1  0.25  0.42  0.51  1.0
  O  O15  1  0.52  0.07  0.02  1.0
  O  O16  1  0.24  0.0  0.06  1.0
  O  O17  1  0.5  0.88  0.66  1.0
  O  O18  1  0.21  0.88  0.53  1.0
  O  O19  1  0.1  0.0  1.0  1.0

data_SrSm3Mn4O12
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.47
_cell_length_b   5.65
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSm3Mn4O12
_chemical_formula_sum   'Sr1 Sm3 Mn4 O12'
_cell_volume   239.78
_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  0.32  0.4  0.0  1.0
  Sm  Sm1  1  0.21  0.84  0.12  1.0
  Sm  Sm2  1  0.6  0.69  0.12  1.0
  Sm  Sm3  1  0.94  0.66  0.0  1.0
  Mn  Mn4  1  0.0  0.18  0.07  1.0
  Mn  Mn5  1  0.0  0.18  0.17  1.0
  Mn  Mn6  1  0.28  0.98  0.06  1.0
  Mn  Mn7  1  0.28  0.98  0.18  1.0
  O  O8  1  0.1  0.33  0.6  1.0
  O  O9  1  0.1  0.33  0.64  1.0
  O  O10  1  0.48  0.98  0.31  1.0
  O  O11  1  0.48  0.98  0.93  1.0
  O  O12  1  0.5  0.34  0.12  1.0
  O  O13  1  0.75  0.49  0.58  1.0
  O  O14  1  0.75  0.49  0.66  1.0
  O  O15  1  0.76  0.94  0.0  1.0
  O  O16  1  0.79  0.47  0.12  1.0
  O  O17  1  0.89  0.93  0.36  1.0
  O  O18  1  0.89  0.93  0.88  1.0
  O  O19  1  0.9  0.0  0.0  1.0

Sr Sm Sm Sm Mn Mn Mn Mn O O O O O O O O O O O O
Sr Sm Sm Sm Mn Mn Mn Mn O O O O O O O O O O O O 0 17 o - o 1 16 o + o 1 3 o + o 1 18 o o o 1 17 o o o 1 10 o o o 2 4 o o o 2 7 o o o 2 3 + + o 2 10 + o o 3 18 o - o 3 16 o o o 3 12 o o o 3 19 o o - 4 7 o o o 4 9 o o o 4 10 + o o 5 6 o o o 5 10 + o + 6 10 + o + 7 15 o + o 8 14 o o o 9 10 o o o 10 19 o + - 11 13 o o o 12 19 o o - 12 16 o o o 15 16 o o o 16 19 o o - 17 18 o o o 