data_Rb2PmAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2PmAg
_chemical_formula_sum   'Rb2 Pm1 Ag1'
_cell_volume   172.83
_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  0.63  0.63  0.63  1.0
  Rb  Rb3  1  0.21  0.21  0.21  1.0
  Pm  Pm1  1  0.42  0.42  0.42  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Rb2PmAg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   15.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Rb2PmAg
_chemical_formula_sum   'Rb6 Pm3 Ag3'
_cell_volume   518.49
_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  0.37  1.0
  Rb  Rb1  3  0.0  0.0  0.79  1.0
  Pm  Pm2  3  0.0  0.0  0.58  1.0
  Ag  Ag3  3  0.0  0.0  0.0  1.0

Rb Rb Pm Ag
Rb Rb Pm Ag 0 2 o o o 0 2 o o + 0 2 + o o 0 2 o + o 0 1 o o + 0 1 o + o 0 1 + o o 0 3 o + + 0 3 + o + 0 3 + + o 1 3 o o o 1 3 o o + 1 3 + o o 1 3 o + o 1 2 o - o 1 2 - o o 1 2 o o - 1 2 o o o 2 3 o o + 2 3 o + o 2 3 + o o 
Rb2PmAg 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 to four equivalent Pm(1) and three equivalent Ag(1) atoms to form a mixture of distorted edge and corner-sharing RbPm4Ag3 trigonal pyramids. There is one shorter (3.22 Å) and three longer (4.07 Å) Rb(1)-Pm(1) bond lengths. All Rb(1)-Ag(1) bond lengths are 3.65 Å. In the second Rb site, Rb(2) is bonded in a 2-coordinate geometry to four equivalent Pm(1) and four equivalent Ag(1) atoms. There is one shorter (3.22 Å) and three longer (4.07 Å) Rb(2)-Pm(1) bond lengths. There is one shorter (3.22 Å) and three longer (4.07 Å) Rb(2)-Ag(1) bond lengths. Pm(1) is bonded in a 11-coordinate geometry to four equivalent Rb(1), four equivalent Rb(2), and three equivalent Ag(1) atoms. All Pm(1)-Ag(1) bond lengths are 3.85 Å. Ag(1) is bonded in a 10-coordinate geometry to three equivalent Rb(1), four equivalent Rb(2), and three equivalent Pm(1) atoms.