data_K3SrMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3SrMg
_chemical_formula_sum   'K3 Sr1 Mg1'
_cell_volume   335.22
_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  0.47  0.0  1.0
  K  K2  1  0.0  0.0  0.47  1.0
  K  K3  1  0.47  0.0  0.0  1.0
  Sr  Sr0  1  0.47  0.47  0.47  1.0
  Mg  Mg4  1  0.0  0.0  0.0  1.0

data_K3SrMg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.82
_cell_length_b   9.82
_cell_length_c   12.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   K3SrMg
_chemical_formula_sum   'K9 Sr3 Mg3'
_cell_volume   1005.65
_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  9  0.18  0.35  0.82  1.0
  Sr  Sr1  3  0.0  0.0  0.47  1.0
  Mg  Mg2  3  0.0  0.0  0.0  1.0

K K K Sr Mg
K K K Sr Mg 0 4 o o o 0 4 o + o 0 3 o o o 0 3 o o - 0 3 - o o 0 3 - o - 1 4 o o o 1 4 o o + 1 3 o o o 1 3 o - o 1 3 - o o 1 3 - - o 2 4 o o o 2 4 + o o 2 3 o o o 2 3 o o - 2 3 o - o 2 3 o - - 3 4 o o o 
K3SrMg is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. K(1) is bonded in a linear geometry to one Sr(1) and two equivalent Mg(1) atoms. The K(1)-Sr(1) bond length is 4.65 Å. There is one shorter (3.29 Å) and one longer (3.66 Å) K(1)-Mg(1) bond length. Sr(1) is bonded in a 3-coordinate geometry to three equivalent K(1) atoms. Mg(1) is bonded to six equivalent K(1) atoms to form corner-sharing MgK6 octahedra. The corner-sharing octahedra are not tilted.