data_Sm2MnNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.63
_cell_length_c   9.35
_cell_angle_alpha   90.0
_cell_angle_beta   124.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2MnNiO6
_chemical_formula_sum   'Sm4 Mn2 Ni2 O12'
_cell_volume   232.09
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.61  0.27  0.91  1.0
  Sm  Sm1  1  0.94  0.18  0.75  1.0
  Sm  Sm2  1  0.43  0.36  0.77  1.0
  Sm  Sm3  1  0.1  0.45  0.93  1.0
  Mn  Mn4  1  0.0  0.0  0.0  1.0
  Mn  Mn5  1  0.33  0.81  0.84  1.0
  Ni  Ni6  1  0.68  0.81  0.0  1.0
  Ni  Ni7  1  0.02  0.0  0.84  1.0
  O  O8  1  0.83  0.66  0.7  1.0
  O  O9  1  0.9  0.73  0.2  1.0
  O  O10  1  0.46  0.54  0.31  1.0
  O  O11  1  0.5  0.16  0.86  1.0
  O  O12  1  0.2  0.97  0.98  1.0
  O  O13  1  0.13  0.9  0.48  1.0
  O  O14  1  0.54  0.47  0.82  1.0
  O  O15  1  0.02  0.01  0.39  1.0
  O  O16  1  0.01  0.62  0.29  1.0
  O  O17  1  0.36  0.44  0.23  1.0
  O  O18  1  0.57  0.09  0.36  1.0
  O  O19  1  0.68  0.19  0.45  1.0

data_Sm2MnNiO6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.37
_cell_length_b   5.63
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2MnNiO6
_chemical_formula_sum   'Sm4 Mn2 Ni2 O12'
_cell_volume   232.09
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.17  0.55  0.07  1.0
  Sm  Sm1  1  0.19  0.82  0.25  1.0
  Sm  Sm2  1  0.66  0.64  0.23  1.0
  Sm  Sm3  1  0.69  0.73  0.09  1.0
  Mn  Mn4  1  0.0  0.0  0.0  1.0
  Mn  Mn5  1  0.49  0.19  0.16  1.0
  Ni  Ni6  1  0.18  0.0  0.16  1.0
  Ni  Ni7  1  0.68  0.19  0.0  1.0
  O  O8  1  0.12  0.56  0.77  1.0
  O  O9  1  0.13  0.34  0.3  1.0
  O  O10  1  0.15  0.46  0.69  1.0
  O  O11  1  0.2  0.91  0.64  1.0
  O  O12  1  0.23  0.03  0.02  1.0
  O  O13  1  0.23  0.81  0.55  1.0
  O  O14  1  0.63  0.99  0.61  1.0
  O  O15  1  0.64  0.84  0.14  1.0
  O  O16  1  0.66  0.1  0.52  1.0
  O  O17  1  0.7  0.27  0.8  1.0
  O  O18  1  0.72  0.53  0.18  1.0
  O  O19  1  0.72  0.38  0.71  1.0

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