data_Rb2ThMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2ThMg
_chemical_formula_sum   'Rb2 Th1 Mg1'
_cell_volume   196.78
_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  Rb1  1  0.92  0.92  0.92  1.0
  Rb  Rb2  1  0.31  0.31  0.31  1.0
  Th  Th3  1  0.62  0.62  0.62  1.0
  Mg  Mg0  1  0.0  0.0  0.0  1.0

data_Rb2ThMg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   15.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Rb2ThMg
_chemical_formula_sum   'Rb6 Th3 Mg3'
_cell_volume   590.33
_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  0.08  1.0
  Rb  Rb1  3  0.0  0.0  0.69  1.0
  Th  Th2  3  0.0  0.0  0.38  1.0
  Mg  Mg3  3  0.0  0.0  -0.0  1.0

Rb Rb Th Mg
Rb2MgTh crystallizes in the trigonal R3m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a single-bond geometry to three equivalent Rb(2), one Mg(1), and four equivalent Th(1) atoms. All Rb(1)-Rb(2) bond lengths are 3.85 Å. The Rb(1)-Mg(1) bond length is 1.20 Å. There are three shorter (3.79 Å) and one longer (4.93 Å) Rb(1)-Th(1) bond length. In the second Rb site, Rb(2) is bonded in a 10-coordinate geometry to three equivalent Rb(1), three equivalent Mg(1), and four equivalent Th(1) atoms. All Rb(2)-Mg(1) bond lengths are 3.79 Å. There are three shorter (3.79 Å) and one longer (4.93 Å) Rb(2)-Th(1) bond length. Mg(1) is bonded in a single-bond geometry to one Rb(1), three equivalent Rb(2), and three equivalent Th(1) atoms. All Mg(1)-Th(1) bond lengths are 3.85 Å. Th(1) is bonded in a 11-coordinate geometry to four equivalent Rb(1), four equivalent Rb(2), and three equivalent Mg(1) atoms.