data_KMgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgBi2
_chemical_formula_sum   'K1 Mg1 Bi2'
_cell_volume   122.14
_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  K2  1  0.53  0.53  0.0  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.53  0.39  1.0
  Bi  Bi1  1  0.53  0.0  0.39  1.0

data_KMgBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.15
_cell_length_b   7.15
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KMgBi2
_chemical_formula_sum   'K2 Mg2 Bi4'
_cell_volume   244.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.03  0.5  0.0  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  4  0.26  0.26  0.39  1.0

K Mg Bi Bi
K Mg Bi Bi 0 1 o o o 0 1 o + o 0 1 + o o 0 1 + + o 0 2 o o o 0 2 + o - 0 2 + o o 0 3 o o o 0 3 o + - 0 3 o + o 1 3 - o - 1 3 - o o 1 3 o o o 1 2 o - - 1 2 o - o 1 2 o o o 2 3 - o o 2 3 - + o 2 3 o o o 2 3 o + o 
KMgBi2 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 12-coordinate geometry to four equivalent Mg(1) and eight equivalent Bi(1) atoms. There are a spread of K(1)-Mg(1) bond distances ranging from 3.38-3.77 Å. There are a spread of K(1)-Bi(1) bond distances ranging from 3.03-3.95 Å. Mg(1) is bonded in a 8-coordinate geometry to four equivalent K(1) and four equivalent Bi(1) atoms. There are two shorter (3.03 Å) and two longer (3.25 Å) Mg(1)-Bi(1) bond lengths. Bi(1) is bonded in a 6-coordinate geometry to four equivalent K(1) and two equivalent Mg(1) atoms.