data_CsRb2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   6.86
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsRb2Mn
_chemical_formula_sum   'Cs1 Rb2 Mn1'
_cell_volume   228.1
_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
  Cs  Cs0  1  0.85  0.85  0.85  1.0
  Rb  Rb2  1  0.42  0.42  0.42  1.0
  Rb  Rb3  1  0.27  0.27  0.27  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0

data_CsRb2Mn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   16.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CsRb2Mn
_chemical_formula_sum   'Cs3 Rb6 Mn3'
_cell_volume   684.31
_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
  Cs  Cs0  3  0.0  0.0  0.15  1.0
  Rb  Rb1  3  0.0  0.0  0.58  1.0
  Rb  Rb2  3  0.0  0.0  0.73  1.0
  Mn  Mn3  3  0.0  0.0  0.0  1.0

Cs Rb Rb Mn
Cs Rb Rb Mn 0 3 + + + 1 2 o o o 
CsRb2Mn crystallizes in the trigonal R3m space group. Cs(1) is bonded in a single-bond geometry to three equivalent Rb(1) and one Mn(1) atom. All Cs(1)-Rb(1) bond lengths are 4.25 Å. The Cs(1)-Mn(1) bond length is 2.53 Å. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to three equivalent Cs(1), one Rb(2), and three equivalent Mn(1) atoms. The Rb(1)-Rb(2) bond length is 2.53 Å. All Rb(1)-Mn(1) bond lengths are 4.25 Å. In the second Rb site, Rb(2) is bonded in a 4-coordinate geometry to one Rb(1) and three equivalent Mn(1) atoms. All Rb(2)-Mn(1) bond lengths are 4.08 Å. Mn(1) is bonded in a single-bond geometry to one Cs(1), three equivalent Rb(1), and three equivalent Rb(2) atoms.