data_KSrMnCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrMnCo
_chemical_formula_sum   'K1 Sr1 Mn1 Co1'
_cell_volume   99.81
_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
  K  K1  1  0.0  0.0  0.0  1.0
  Sr  Sr3  1  0.52  0.52  0.52  1.0
  Mn  Mn2  1  0.68  0.68  0.68  1.0
  Co  Co0  1  0.84  0.84  0.84  1.0

data_KSrMnCo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KSrMnCo
_chemical_formula_sum   'K3 Sr3 Mn3 Co3'
_cell_volume   299.43
_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  0.48  1.0
  Mn  Mn2  3  0.0  0.0  0.32  1.0
  Co  Co3  3  0.0  0.0  0.16  1.0

K Sr Mn Co
K Sr Mn Co 0 3 - - - 1 2 o o o 2 3 o o o 
KSrMnCo crystallizes in the trigonal R3m space group. K(1) is bonded in a distorted single-bond geometry to three equivalent Mn(1) and one Co(1) atom. All K(1)-Mn(1) bond lengths are 3.01 Å. The K(1)-Co(1) bond length is 2.03 Å. Sr(1) is bonded to one Mn(1) and three equivalent Co(1) atoms to form distorted SrMnCo3 trigonal pyramids that share corners with three equivalent Mn(1)K3SrCo trigonal bipyramids and corners with six equivalent Sr(1)MnCo3 trigonal pyramids. The Sr(1)-Mn(1) bond length is 2.03 Å. All Sr(1)-Co(1) bond lengths are 3.01 Å. Mn(1) is bonded to three equivalent K(1), one Sr(1), and one Co(1) atom to form distorted MnK3SrCo trigonal bipyramids that share corners with six equivalent Mn(1)K3SrCo trigonal bipyramids and corners with three equivalent Sr(1)MnCo3 trigonal pyramids. The Mn(1)-Co(1) bond length is 2.03 Å. Co(1) is bonded in a 5-coordinate geometry to one K(1), three equivalent Sr(1), and one Mn(1) atom.