data_global
_amcsd_formula_title 'RbGa(SO4)2*12H2O'
loop_
_publ_author_name
'Nyburg S C'
'Steed J'
'Aleksovska S'
'Petrusevski V M'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 56 
_journal_year 2000
_journal_page_first 204
_journal_page_last 209
_publ_section_title
;
 Structure of the alums. I. On the sulfate group disorder in the alpha-alums
 Sample: T = 296 K
;
_database_code_amcsd 0009918
_chemical_formula_sum 'Rb Ga S2 O20 H24'
_cell_length_a 12.2679
_cell_length_b 12.2679
_cell_length_c 12.2679
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1846.336
_exptl_crystal_density_diffrn      2.027
_symmetry_space_group_name_H-M 'P a 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+z,x,1/2-y'
  'z,1/2-x,1/2+y'
  '1/2-z,1/2+x,y'
  '-z,-x,-y'
  '1/2+y,1/2-z,-x'
  '1/2-y,-z,1/2+x'
  '-y,1/2+z,1/2-x'
  'y,z,x'
  'x,1/2-y,1/2+z'
  '1/2-x,1/2+y,z'
  '1/2+x,y,1/2-z'
  '-x,-y,-z'
  '1/2-z,-x,1/2+y'
  '-z,1/2+x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  '1/2-y,1/2+z,x'
  '1/2+y,z,1/2-x'
  'y,1/2-z,1/2+x'
  '-y,-z,-x'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Rb   0.50000   0.50000   0.50000   1.00000   0.05140
Ga   0.00000   0.00000   0.00000   1.00000   0.02530
S   0.31299   0.31299   0.31299   1.00000   0.03050
O3   0.24530   0.24530   0.24530   0.89200   0.03490
O3A   0.38000   0.38000   0.38000   0.10800   0.06800
O4   0.27010   0.42450   0.31780   0.89200   0.06600
O4A   0.29200   0.21100   0.36900   0.10800   0.18000
O1   0.15770   0.01070  -0.01250   1.00000   0.04510
O2   0.04790   0.14250   0.29880   1.00000   0.05070
H11   0.18100   0.02900  -0.06100   1.00000   0.06200
H12   0.20300   0.02500   0.04800   1.00000   0.05900
H21   0.10200   0.16500   0.29900   1.00000   0.09000
H22   0.01300   0.19100   0.28500   1.00000   0.07200
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Rb 0.05140 0.05140 0.05140 0.01080 0.01080 0.01080
Ga 0.02530 0.02530 0.02530 -0.00040 -0.00040 -0.00040
S 0.03050 0.03050 0.03050 0.00370 0.00370 0.00370
O3 0.02860 0.04450 0.03170 -0.00350 0.00080 0.00300
O3A 0.05700 0.03800 0.11000 0.01400 0.06000 0.04000
O4 0.06600 0.06600 0.06600 -0.01490 -0.01490 -0.01490
O4A 0.18000 0.18000 0.18000 -0.07000 -0.07000 -0.07000
O1 0.04860 0.04020 0.04650 0.00250 -0.00530 -0.00410
O2 0.06400 0.04220 0.04580 0.02130 0.01850 0.00880