data_K4LaCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.4
_cell_length_b   7.4
_cell_length_c   7.4
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4LaCr
_chemical_formula_sum   'K4 La1 Cr1'
_cell_volume   286.98
_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  0.55  0.55  0.92  1.0
  K  K2  1  0.55  0.92  0.55  1.0
  K  K3  1  0.92  0.55  0.55  1.0
  K  K4  1  0.92  0.92  0.92  1.0
  La  La5  1  0.85  0.85  0.85  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_K4LaCr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.4
_cell_length_b   7.4
_cell_length_c   18.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   K4LaCr
_chemical_formula_sum   'K12 La3 Cr3'
_cell_volume   860.95
_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  0.09  0.55  0.99  1.0
  K  K1  3  0.0  0.0  0.08  1.0
  La  La2  3  0.0  0.0  0.15  1.0
  Cr  Cr3  3  0.0  0.0  0.0  1.0

K K K K La Cr
K4LaCr crystallizes in the trigonal R3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to two equivalent K(1), one La(1), and two equivalent Cr(1) atoms. Both K(1)-K(1) bond lengths are 2.69 Å. The K(1)-La(1) bond length is 3.58 Å. Both K(1)-Cr(1) bond lengths are 3.75 Å. In the second K site, K(2) is bonded in a linear geometry to one La(1) and one Cr(1) atom. The K(2)-La(1) bond length is 1.16 Å. The K(2)-Cr(1) bond length is 1.51 Å. La(1) is bonded in a single-bond geometry to one K(2) and three equivalent K(1) atoms. Cr(1) is bonded in a single-bond geometry to one K(2) and six equivalent K(1) atoms.