data_KLaMgNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaMgNi
_chemical_formula_sum   'K1 La1 Mg1 Ni1'
_cell_volume   97.96
_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  0.49  0.49  0.49  1.0
  La  La1  1  0.66  0.66  0.66  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.83  0.83  0.83  1.0

data_KLaMgNi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KLaMgNi
_chemical_formula_sum   'K3 La3 Mg3 Ni3'
_cell_volume   293.87
_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  0.51  1.0
  La  La1  3  0.0  0.0  0.34  1.0
  Mg  Mg2  3  0.0  0.0  0.0  1.0
  Ni  Ni3  3  0.0  0.0  0.17  1.0

K La Mg Ni
KMgLaNi crystallizes in the trigonal R3m space group. K(1) is bonded to one La(1) and three equivalent Ni(1) atoms to form distorted KLaNi3 trigonal pyramids that share  a cornercorner with one Ni(1)K3LaMg trigonal bipyramid and corners with six equivalent K(1)LaNi3 trigonal pyramids. The K(1)-La(1) bond length is 2.16 Å. All K(1)-Ni(1) bond lengths are 2.99 Å. Mg(1) is bonded in a distorted single-bond geometry to one Ni(1) atom. The Mg(1)-Ni(1) bond length is 2.16 Å. La(1) is bonded in a 2-coordinate geometry to one K(1) and one Ni(1) atom. The La(1)-Ni(1) bond length is 2.16 Å. Ni(1) is bonded to three equivalent K(1), one Mg(1), and one La(1) atom to form distorted NiK3LaMg trigonal bipyramids that share corners with six equivalent Ni(1)K3LaMg trigonal bipyramids and  a cornercorner with one K(1)LaNi3 trigonal pyramid.