data_SrTi2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   6.58
_cell_angle_alpha   107.29
_cell_angle_beta   107.29
_cell_angle_gamma   56.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTi2Mn
_chemical_formula_sum   'Sr1 Ti2 Mn1'
_cell_volume   89.25
_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  0.55  0.0  0.1  1.0
  Ti  Ti2  1  0.26  0.0  0.46  1.0
  Ti  Ti3  1  0.84  0.0  0.73  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0

data_SrTi2Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.16
_cell_length_c   6.58
_cell_angle_alpha   107.29
_cell_angle_beta   90.0
_cell_angle_gamma   118.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTi2Mn
_chemical_formula_sum   'Sr1 Ti2 Mn1'
_cell_volume   89.25
_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  Sr0  1  0.0  0.45  0.9  1.0
  Ti  Ti1  1  0.0  0.16  0.27  1.0
  Ti  Ti2  1  0.0  0.74  0.54  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0

Sr Ti Ti Mn
SrTi2Mn crystallizes in the triclinic P1 space group. Sr(1) is bonded in a distorted bent 150 degrees geometry to three equivalent Ti(1) and two equivalent Mn(1) atoms. There are a spread of Sr(1)-Ti(1) bond distances ranging from 2.99-3.84 Å. There is one shorter (2.14 Å) and one longer (2.19 Å) Sr(1)-Mn(1) bond length. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 7-coordinate geometry to three equivalent Sr(1), three equivalent Ti(2), and one Mn(1) atom. There are a spread of Ti(1)-Ti(2) bond distances ranging from 2.52-3.59 Å. The Ti(1)-Mn(1) bond length is 2.91 Å. In the second Ti site, Ti(2) is bonded in a distorted single-bond geometry to three equivalent Ti(1) and one Mn(1) atom. The Ti(2)-Mn(1) bond length is 1.70 Å. Mn(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1), one Ti(1), and one Ti(2) atom.