data_KSrTiMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrTiMn
_chemical_formula_sum   'K1 Sr1 Ti1 Mn1'
_cell_volume   97.67
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Sr  Sr2  1  0.83  0.83  0.83  1.0
  Ti  Ti3  1  0.66  0.66  0.66  1.0
  Mn  Mn1  1  0.48  0.48  0.48  1.0

data_KSrTiMn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KSrTiMn
_chemical_formula_sum   'K3 Sr3 Ti3 Mn3'
_cell_volume   293.01
_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
  K  K0  3  0.0  0.0  0.0  1.0
  Sr  Sr1  3  0.0  0.0  0.17  1.0
  Ti  Ti2  3  0.0  0.0  0.34  1.0
  Mn  Mn3  3  0.0  0.0  0.52  1.0

K Sr Ti Mn
KSrTiMn crystallizes in the trigonal R3m space group. K(1) is bonded in a 4-coordinate geometry to one Sr(1), three equivalent Ti(1), and three equivalent Mn(1) atoms. The K(1)-Sr(1) bond length is 2.18 Å. All K(1)-Ti(1) bond lengths are 2.99 Å. All K(1)-Mn(1) bond lengths are 3.53 Å. Sr(1) is bonded to one K(1), one Ti(1), and three equivalent Mn(1) atoms to form distorted SrKTiMn3 trigonal bipyramids that share corners with six equivalent Sr(1)KTiMn3 trigonal bipyramids and edges with three equivalent Ti(1)K3SrMn trigonal bipyramids. The Sr(1)-Ti(1) bond length is 2.18 Å. All Sr(1)-Mn(1) bond lengths are 2.99 Å. Ti(1) is bonded to three equivalent K(1), one Sr(1), and one Mn(1) atom to form distorted TiK3SrMn trigonal bipyramids that share corners with six equivalent Ti(1)K3SrMn trigonal bipyramids and edges with three equivalent Sr(1)KTiMn3 trigonal bipyramids. The Ti(1)-Mn(1) bond length is 2.18 Å. Mn(1) is bonded in a 7-coordinate geometry to three equivalent K(1), three equivalent Sr(1), and one Ti(1) atom.