data_Sr2TiMnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   3.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TiMnO6
_chemical_formula_sum   'Sr2 Ti1 Mn1 O6'
_cell_volume   118.43
_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  0.0  0.75  0.0  1.0
  Sr  Sr1  1  0.75  0.0  0.0  1.0
  Ti  Ti2  1  0.0  0.0  0.96  1.0
  Mn  Mn3  1  0.75  0.75  0.96  1.0
  O  O4  1  0.75  0.75  0.0  1.0
  O  O5  1  0.0  0.0  0.0  1.0
  O  O6  1  0.11  0.39  0.96  1.0
  O  O7  1  0.39  0.11  0.96  1.0
  O  O8  1  0.11  0.11  0.96  1.0
  O  O9  1  0.39  0.39  0.96  1.0

data_Sr2TiMnO6
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.78
_cell_length_b   7.78
_cell_length_c   3.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2TiMnO6
_chemical_formula_sum   'Sr4 Ti2 Mn2 O12'
_cell_volume   236.86
_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  4  0.38  0.38  0.0  1.0
  Ti  Ti1  2  0.0  0.0  0.96  1.0
  Mn  Mn2  2  0.25  0.5  0.96  1.0
  O  O3  4  0.25  0.14  0.96  1.0
  O  O4  2  0.0  0.0  0.0  1.0
  O  O5  2  0.11  0.0  0.96  1.0
  O  O6  2  0.25  0.5  0.0  1.0
  O  O7  2  0.39  0.0  0.96  1.0

Sr Sr Ti Mn O O O O O O