data_[Rb12V4S8O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [12.0172]
_cell_length_b [8.6506]
_cell_length_c [12.3528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2750]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Rb3V(SO5)2]
_chemical_formula_sum '[Rb12 V4 S8 O40]'
_cell_volume [1204.5817]
_cell_formula_units_Z [4]
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  4  0.0138  0.2850  0.9454  1
  Rb  Rb1  4  0.3741  0.1480  0.8587  1
  Rb  Rb2  2  0.0000  0.1172  0.2500  1
  Rb  Rb3  2  0.5000  0.3142  0.2500  1
  V  V4  4  0.3242  0.3204  0.4762  1
  S  S5  4  0.1841  0.4829  0.2880  1
  S  S6  4  0.2296  0.0198  0.5652  1
  O  O7  4  0.1340  0.4173  0.1723  1
  O  O8  4  0.1401  0.0020  0.1214  1
  O  O9  4  0.1500  0.3851  0.3760  1
  O  O10  4  0.1521  0.3548  0.7933  1
  O  O11  4  0.1879  0.0452  0.9471  1
  O  O12  4  0.2375  0.1995  0.5548  1
  O  O13  4  0.3189  0.4623  0.3388  1
  O  O14  4  0.3476  0.0370  0.1363  1
  O  O15  4  0.4069  0.1843  0.4463  1
  O  O16  4  0.4080  0.4266  0.5842  1
]