data_SrTi2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   6.5
_cell_angle_alpha   106.82
_cell_angle_beta   106.82
_cell_angle_gamma   52.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTi2Co
_chemical_formula_sum   'Sr1 Ti2 Co1'
_cell_volume   90.81
_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  0.83  0.0  0.08  1.0
  Ti  Ti2  1  0.58  0.0  0.44  1.0
  Ti  Ti3  1  0.08  0.0  0.71  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_SrTi2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.32
_cell_length_c   6.5
_cell_angle_alpha   106.82
_cell_angle_beta   90.0
_cell_angle_gamma   116.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTi2Co
_chemical_formula_sum   'Sr1 Ti2 Co1'
_cell_volume   90.81
_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  0.17  0.92  1.0
  Ti  Ti1  1  0.0  0.42  0.56  1.0
  Ti  Ti2  1  0.0  0.92  0.29  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Sr Ti Ti Co
Sr Ti Ti Co 0 3 + o o 1 2 + o o 2 3 o o + 
SrTi2Co crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SrTi2Co cluster. Sr(1) is bonded in a single-bond geometry to one Ti(1) and one Co(1) atom. The Sr(1)-Ti(1) bond length is 2.88 Å. The Sr(1)-Co(1) bond length is 1.01 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 1-coordinate geometry to one Sr(1) atom. In the second Ti site, Ti(2) is bonded in a distorted single-bond geometry to one Co(1) atom. The Ti(2)-Co(1) bond length is 2.01 Å. Co(1) is bonded in a distorted single-bond geometry to one Sr(1) and one Ti(2) atom.