data_Sr2TiMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TiMn
_chemical_formula_sum   'Sr2 Ti1 Mn1'
_cell_volume   97.25
_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  Sr1  1  0.82  0.82  0.82  1.0
  Sr  Sr2  1  0.65  0.65  0.65  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.47  0.47  0.47  1.0

data_Sr2TiMn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr2TiMn
_chemical_formula_sum   'Sr6 Ti3 Mn3'
_cell_volume   291.74
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.18  1.0
  Sr  Sr1  3  0.0  0.0  0.35  1.0
  Ti  Ti2  3  0.0  0.0  0.0  1.0
  Mn  Mn3  3  0.0  0.0  0.53  1.0

Sr Sr Ti Mn
Sr2TiMn crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one Sr(2), one Ti(1), and three equivalent Mn(1) atoms to form distorted SrSrTiMn3 trigonal bipyramids that share corners with six equivalent Sr(1)SrTiMn3 trigonal bipyramids,  a cornercorner with one Mn(1)Sr4 trigonal pyramid, corners with three equivalent Ti(1)Sr4 trigonal pyramids, and edges with three equivalent Sr(2)SrTi3Mn trigonal bipyramids. The Sr(1)-Sr(2) bond length is 2.21 Å. The Sr(1)-Ti(1) bond length is 2.21 Å. All Sr(1)-Mn(1) bond lengths are 2.99 Å. In the second Sr site, Sr(2) is bonded to one Sr(1), three equivalent Ti(1), and one Mn(1) atom to form distorted SrSrTi3Mn trigonal bipyramids that share corners with six equivalent Sr(2)SrTi3Mn trigonal bipyramids,  a cornercorner with one Ti(1)Sr4 trigonal pyramid, corners with three equivalent Mn(1)Sr4 trigonal pyramids, and edges with three equivalent Sr(1)SrTiMn3 trigonal bipyramids. All Sr(2)-Ti(1) bond lengths are 2.99 Å. The Sr(2)-Mn(1) bond length is 2.21 Å. Ti(1) is bonded to one Sr(1) and three equivalent Sr(2) atoms to form distorted TiSr4 trigonal pyramids that share  a cornercorner with one Sr(2)SrTi3Mn trigonal bipyramid, corners with three equivalent Sr(1)SrTiMn3 trigonal bipyramids, corners with six equivalent Ti(1)Sr4 trigonal pyramids, and edges with three equivalent Mn(1)Sr4 trigonal pyramids. Mn(1) is bonded to one Sr(2) and three equivalent Sr(1) atoms to form distorted MnSr4 trigonal pyramids that share  a cornercorner with one Sr(1)SrTiMn3 trigonal bipyramid, corners with three equivalent Sr(2)SrTi3Mn trigonal bipyramids, corners with six equivalent Mn(1)Sr4 trigonal pyramids, and edges with three equivalent Ti(1)Sr4 trigonal pyramids.