data_KRb2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   6.41
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRb2Co
_chemical_formula_sum   'K1 Rb2 Co1'
_cell_volume   185.95
_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  0.0  0.0  0.0  1.0
  Rb  Rb2  1  0.27  0.27  0.27  1.0
  Rb  Rb3  1  0.8  0.8  0.8  1.0
  Co  Co0  1  0.53  0.53  0.53  1.0

data_KRb2Co
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   15.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KRb2Co
_chemical_formula_sum   'K3 Rb6 Co3'
_cell_volume   557.86
_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  0.0  1.0
  Rb  Rb1  3  0.0  0.0  0.2  1.0
  Rb  Rb2  3  0.0  0.0  0.73  1.0
  Co  Co3  3  0.0  0.0  0.47  1.0

K Rb Rb Co
Rb2KCo is Heusler structured and crystallizes in the trigonal R3m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 4-coordinate geometry to four equivalent K(1) and four equivalent Co(1) atoms. There are three shorter (3.85 Å) and one longer (4.16 Å) Rb(1)-K(1) bond length. There are three shorter (3.85 Å) and one longer (4.16 Å) Rb(1)-Co(1) bond length. In the second Rb site, Rb(2) is bonded in a 5-coordinate geometry to four equivalent K(1) and four equivalent Co(1) atoms. There is one shorter (3.21 Å) and three longer (4.21 Å) Rb(2)-K(1) bond lengths. There are three shorter (3.85 Å) and one longer (4.16 Å) Rb(2)-Co(1) bond length. K(1) is bonded in a 8-coordinate geometry to four equivalent Rb(1) and four equivalent Rb(2) atoms. Co(1) is bonded in a body-centered cubic geometry to four equivalent Rb(1) and four equivalent Rb(2) atoms.