data_Rb2MgMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2MgMn
_chemical_formula_sum   'Rb2 Mg1 Mn1'
_cell_volume   178.24
_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  Rb2  1  0.7  0.7  0.7  1.0
  Rb  Rb3  1  0.23  0.23  0.23  1.0
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.47  0.47  0.47  1.0

data_Rb2MgMn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   15.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Rb2MgMn
_chemical_formula_sum   'Rb6 Mg3 Mn3'
_cell_volume   534.71
_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  0.3  1.0
  Rb  Rb1  3  0.0  0.0  0.77  1.0
  Mg  Mg2  3  0.0  0.0  0.0  1.0
  Mn  Mn3  3  0.0  0.0  0.53  1.0

Rb Rb Mg Mn
Rb2MgMn 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 7-coordinate geometry to three equivalent Mg(1) and four equivalent Mn(1) atoms. All Rb(1)-Mg(1) bond lengths are 3.68 Å. There is one shorter (3.61 Å) and three longer (3.96 Å) Rb(1)-Mn(1) bond lengths. In the second Rb site, Rb(2) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent Mn(1) atoms. There is one shorter (3.61 Å) and three longer (3.96 Å) Rb(2)-Mg(1) bond lengths. There is one shorter (3.61 Å) and three longer (3.96 Å) Rb(2)-Mn(1) bond lengths. Mg(1) is bonded to three equivalent Rb(1) and four equivalent Rb(2) atoms to form a mixture of distorted corner and edge-sharing MgRb7 hexagonal pyramids. Mn(1) is bonded in a body-centered cubic geometry to four equivalent Rb(1) and four equivalent Rb(2) atoms.