data_K5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01
_cell_length_b   11.59
_cell_length_c   11.59
_cell_angle_alpha   23.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K5Mg
_chemical_formula_sum   'K5 Mg1'
_cell_volume   367.87
_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  0.51  0.0  0.19  1.0
  K  K1  1  0.51  0.0  0.58  1.0
  K  K2  1  0.51  0.0  0.91  1.0
  K  K3  1  0.0  0.0  0.52  1.0
  K  K4  1  0.0  0.0  0.26  1.0
  Mg  Mg5  1  0.0  0.0  0.53  1.0

data_K5Mg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.62
_cell_length_b   7.01
_cell_length_c   11.59
_cell_angle_alpha   90.0
_cell_angle_beta   101.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   K5Mg
_chemical_formula_sum   'K5 Mg1'
_cell_volume   367.87
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.09  0.5  0.09  1.0
  K  K1  1  0.42  0.5  0.42  1.0
  K  K2  1  0.48  0.0  0.48  1.0
  K  K3  1  0.74  0.0  0.74  1.0
  K  K4  1  0.81  0.5  0.81  1.0
  Mg  Mg5  1  0.47  0.0  0.47  1.0

K K K K K Mg
K K K K K Mg 0 4 o o o 0 4 + o o 0 2 o o - 1 5 o o o 1 5 + o o 1 3 o o o 1 3 + o o 1 2 o o o 3 5 o o o 3 4 o o o 4 5 o o o 
K5Mg crystallizes in the triclinic P1 space group. There are five inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one K(2), one K(3), two equivalent K(1), and two equivalent K(5) atoms. The K(1)-K(2) bond length is 4.57 Å. The K(1)-K(3) bond length is 3.28 Å. Both K(1)-K(1) bond lengths are 4.62 Å. There is one shorter (3.57 Å) and one longer (3.65 Å) K(1)-K(5) bond length. In the second K site, K(2) is bonded in a 3-coordinate geometry to one K(1), one K(3), and two equivalent Mg(1) atoms. The K(2)-K(3) bond length is 3.74 Å. There is one shorter (3.52 Å) and one longer (3.60 Å) K(2)-Mg(1) bond length. In the third K site, K(3) is bonded in a distorted linear geometry to one K(1), one K(2), and two equivalent K(3) atoms. Both K(3)-K(3) bond lengths are 4.62 Å. In the fourth K site, K(4) is bonded in a single-bond geometry to one K(5) and one Mg(1) atom. The K(4)-K(5) bond length is 2.96 Å. The K(4)-Mg(1) bond length is 0.12 Å. In the fifth K site, K(5) is bonded in a 3-coordinate geometry to one K(4) and two equivalent K(1) atoms. Mg(1) is bonded in a single-bond geometry to one K(4) and two equivalent K(2) atoms.