data_KRb2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   6.75
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRb2Zn
_chemical_formula_sum   'K1 Rb2 Zn1'
_cell_volume   217.27
_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  0.0  0.0  0.0  1.0
  Rb  Rb1  1  0.16  0.16  0.16  1.0
  Rb  Rb2  1  0.39  0.39  0.39  1.0
  Zn  Zn3  1  0.77  0.77  0.77  1.0

data_KRb2Zn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   16.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KRb2Zn
_chemical_formula_sum   'K3 Rb6 Zn3'
_cell_volume   651.81
_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  0.61  1.0
  Rb  Rb2  3  0.0  0.0  0.84  1.0
  Zn  Zn3  3  0.0  0.0  0.23  1.0

K Rb Rb Zn
Rb2KZn crystallizes in the trigonal R3m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 5-coordinate geometry to one Rb(2), one K(1), and three equivalent Zn(1) atoms. The Rb(1)-Rb(2) bond length is 3.78 Å. The Rb(1)-K(1) bond length is 2.60 Å. All Rb(1)-Zn(1) bond lengths are 3.99 Å. In the second Rb site, Rb(2) is bonded in a 3-coordinate geometry to one Rb(1) and three equivalent Zn(1) atoms. All Rb(2)-Zn(1) bond lengths are 3.99 Å. K(1) is bonded in a linear geometry to one Rb(1) and one Zn(1) atom. The K(1)-Zn(1) bond length is 3.78 Å. Zn(1) is bonded to three equivalent Rb(1), three equivalent Rb(2), and one K(1) atom to form distorted edge-sharing ZnKRb6 hexagonal pyramids.