data_KMgNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   2.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgNi2
_chemical_formula_sum   'K1 Mg1 Ni2'
_cell_volume   72.16
_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  0.5  0.5  0.0  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.5  0.44  1.0
  Ni  Ni3  1  0.5  0.0  0.44  1.0

data_KMgNi2
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   2.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   KMgNi2
_chemical_formula_sum   'K1 Mg1 Ni2'
_cell_volume   72.16
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  Mg  Mg1  1  0.5  0.5  0.0  1.0
  Ni  Ni2  2  0.0  0.5  0.44  1.0

K Mg Ni Ni
K Mg Ni Ni 0 2 o o - 0 2 o o o 0 2 + o - 0 2 + o o 0 3 o o - 0 3 o o o 0 3 o + - 0 3 o + o 0 0 o o + 1 3 - o - 1 3 - o o 1 3 o o - 1 3 o o o 1 2 o - - 1 2 o - o 1 2 o o - 1 2 o o o 1 1 o o + 2 2 o o + 3 3 o o + 
KMgNi2 crystallizes in the monoclinic Cm space group. K(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ni(1) atoms. There are four shorter (2.81 Å) and four longer (2.97 Å) K(1)-Ni(1) bond lengths. Mg(1) is bonded in a 8-coordinate geometry to eight equivalent Ni(1) atoms. There are four shorter (2.81 Å) and four longer (2.97 Å) Mg(1)-Ni(1) bond lengths. Ni(1) is bonded in a 8-coordinate geometry to four equivalent K(1) and four equivalent Mg(1) atoms.