data_RbMn3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMn3Bi
_chemical_formula_sum   'Rb1 Mn3 Bi1'
_cell_volume   136.1
_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
  Rb  Rb4  1  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.0  0.57  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.57  1.0
  Mn  Mn2  1  0.57  0.0  0.0  1.0
  Bi  Bi3  1  0.57  0.57  0.57  1.0

data_RbMn3Bi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.27
_cell_length_b   7.27
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   RbMn3Bi
_chemical_formula_sum   'Rb3 Mn9 Bi3'
_cell_volume   408.3
_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
  Rb  Rb0  3  0.0  0.0  0.0  1.0
  Mn  Mn1  9  0.05  0.52  0.52  1.0
  Bi  Bi2  3  0.0  0.0  0.57  1.0

Rb Mn Mn Mn Bi
Rb Mn Mn Mn Bi 0 3 - o o 0 1 o - o 0 2 o o - 0 4 - - - 1 4 o o - 1 4 - o o 1 4 - o - 2 4 o - o 2 4 - o o 2 4 - - o 3 4 o o - 3 4 o - o 3 4 o - - 
RbMn3Bi crystallizes in the trigonal R3m space group. Rb(1) is bonded to six equivalent Mn(1) atoms to form corner-sharing RbMn6 octahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.20 Å) and three longer (2.94 Å) Rb(1)-Mn(1) bond lengths. Mn(1) is bonded in a 1-coordinate geometry to two equivalent Rb(1) and three equivalent Bi(1) atoms. There is one shorter (3.11 Å) and two longer (3.67 Å) Mn(1)-Bi(1) bond lengths. Bi(1) is bonded in a 9-coordinate geometry to nine equivalent Mn(1) atoms.