data_Rb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.1
_cell_length_b   15.1
_cell_length_c   15.1
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb
_chemical_formula_sum   Rb29
_cell_volume   2651.32
_cell_formula_units_Z   29
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  Rb0  1  0.0  0.0  0.0  1.0
  Rb  Rb1  1  0.19  0.19  0.81  1.0
  Rb  Rb2  1  0.99  0.44  0.56  1.0
  Rb  Rb3  1  0.53  0.59  0.41  1.0
  Rb  Rb4  1  0.19  0.13  0.13  1.0
  Rb  Rb5  1  0.41  0.53  0.59  1.0
  Rb  Rb6  1  0.41  0.59  0.53  1.0
  Rb  Rb7  1  0.73  0.28  0.28  1.0
  Rb  Rb8  1  0.44  0.44  0.45  1.0
  Rb  Rb9  1  0.44  0.45  0.44  1.0
  Rb  Rb10  1  0.53  0.53  0.53  1.0
  Rb  Rb11  1  0.59  0.41  0.53  1.0
  Rb  Rb12  1  0.59  0.53  0.41  1.0
  Rb  Rb13  1  0.56  0.99  0.44  1.0
  Rb  Rb14  1  0.56  0.44  0.99  1.0
  Rb  Rb15  1  0.28  0.28  0.73  1.0
  Rb  Rb16  1  0.28  0.73  0.28  1.0
  Rb  Rb17  1  0.59  0.59  0.91  1.0
  Rb  Rb18  1  0.59  0.91  0.59  1.0
  Rb  Rb19  1  0.81  0.19  0.19  1.0
  Rb  Rb20  1  0.44  0.56  0.99  1.0
  Rb  Rb21  1  0.44  0.99  0.56  1.0
  Rb  Rb22  1  0.45  0.44  0.44  1.0
  Rb  Rb23  1  0.13  0.13  0.19  1.0
  Rb  Rb24  1  0.13  0.19  0.13  1.0
  Rb  Rb25  1  0.91  0.59  0.59  1.0
  Rb  Rb26  1  0.19  0.81  0.19  1.0
  Rb  Rb27  1  0.99  0.56  0.44  1.0
  Rb  Rb28  1  0.53  0.41  0.59  1.0

data_Rb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   24.66
_cell_length_b   24.66
_cell_length_c   15.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Rb
_chemical_formula_sum   Rb87
_cell_volume   7953.96
_cell_formula_units_Z   87
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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  18  0.02  0.1  0.51  1.0
  Rb  Rb1  18  0.11  0.34  0.33  1.0
  Rb  Rb2  9  0.0  0.0  0.44  1.0
  Rb  Rb3  9  0.04  0.02  0.15  1.0
  Rb  Rb4  9  0.08  0.54  0.73  1.0
  Rb  Rb5  9  0.18  0.37  0.09  1.0
  Rb  Rb6  9  0.21  0.1  0.7  1.0
  Rb  Rb7  3  0.0  0.0  0.0  1.0
  Rb  Rb8  3  0.0  0.0  0.53  1.0

Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb