data_RbSb3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbSb3H
_chemical_formula_sum   'Rb1 Sb3 H1'
_cell_volume   125.12
_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  Rb3  1  0.5  0.5  0.5  1.0
  Sb  Sb0  1  0.0  0.5  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.5  1.0
  Sb  Sb2  1  0.5  0.0  0.0  1.0
  H  H4  1  0.0  0.0  0.0  1.0

data_RbSb3H
_symmetry_space_group_name_H-M   Pm-3m
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   221
_chemical_formula_structural   RbSb3H
_chemical_formula_sum   'Rb1 Sb3 H1'
_cell_volume   125.12
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x, z'
  4  'y, -x, -z'
  5  '-x, -y, z'
  6  'x, y, -z'
  7  'y, -x, z'
  8  '-y, x, -z'
  9  'x, -y, -z'
  10  '-x, y, z'
  11  '-y, -x, -z'
  12  'y, x, z'
  13  '-x, y, -z'
  14  'x, -y, z'
  15  'y, x, -z'
  16  '-y, -x, z'
  17  'z, x, y'
  18  '-z, -x, -y'
  19  'z, -y, x'
  20  '-z, y, -x'
  21  'z, -x, -y'
  22  '-z, x, y'
  23  'z, y, -x'
  24  '-z, -y, x'
  25  '-z, x, -y'
  26  'z, -x, y'
  27  '-z, -y, -x'
  28  'z, y, x'
  29  '-z, -x, y'
  30  'z, x, -y'
  31  '-z, y, x'
  32  'z, -y, -x'
  33  'y, z, x'
  34  '-y, -z, -x'
  35  'x, z, -y'
  36  '-x, -z, y'
  37  '-y, z, -x'
  38  'y, -z, x'
  39  '-x, z, y'
  40  'x, -z, -y'
  41  '-y, -z, x'
  42  'y, z, -x'
  43  '-x, -z, -y'
  44  'x, z, y'
  45  'y, -z, -x'
  46  '-y, z, x'
  47  'x, -z, y'
  48  '-x, z, -y'
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  1  0.5  0.5  0.5  1.0
  Sb  Sb1  3  0.0  0.0  0.5  1.0
  H  H2  1  0.0  0.0  0.0  1.0

Rb Sb Sb Sb H
Rb Sb Sb Sb H 0 2 o o o 0 2 o + o 0 2 + o o 0 2 + + o 0 1 o o o 0 1 o o + 0 1 + o o 0 1 + o + 0 3 o o o 0 3 o o + 0 3 o + o 0 3 o + + 1 4 o o o 1 4 o + o 2 4 o o o 2 4 o o + 3 4 o o o 3 4 + o o 
RbSb3H is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Rb(1) is bonded to twelve equivalent Sb(1) atoms to form RbSb12 cuboctahedra that share corners with twelve equivalent Rb(1)Sb12 cuboctahedra, faces with six equivalent Rb(1)Sb12 cuboctahedra, and faces with eight equivalent H(1)Sb6 octahedra. There are three shorter (3.53 Å) and nine longer (3.54 Å) Rb(1)-Sb(1) bond lengths. Sb(1) is bonded in a 6-coordinate geometry to four equivalent Rb(1) and two equivalent H(1) atoms. Both Sb(1)-H(1) bond lengths are 2.50 Å. H(1) is bonded to six equivalent Sb(1) atoms to form distorted HSb6 octahedra that share corners with six equivalent H(1)Sb6 octahedra and faces with eight equivalent Rb(1)Sb12 cuboctahedra. The corner-sharing octahedra are not tilted.