data_[Rb2Cu4H6S4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2420]
_cell_length_b [6.3974]
_cell_length_c [8.1458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1407]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [RbCu2H3(SO5)2]
_chemical_formula_sum '[Rb2 Cu4 H6 S4 O20]'
_cell_volume [424.6867]
_cell_formula_units_Z [2]
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  2  0.4992  0.0000  0.5003  1.0
  Cu  Cu1  4  0.2517  0.2450  0.9982  1.0
  H  H2  2  0.0245  0.5000  0.0133  1.0
  H  H3  2  0.2045  0.5000  0.2080  1.0
  H  H4  2  0.2977  0.0000  0.7978  1.0
  S  S5  2  0.0691  0.0000  0.2759  1.0
  S  S6  2  0.4298  0.5000  0.7237  1.0
  O  O7  4  0.0381  0.1933  0.7805  1.0
  O  O8  4  0.4611  0.3065  0.2203  1.0
  O  O9  2  0.1557  0.5000  0.0713  1.0
  O  O10  2  0.1693  0.0000  0.4785  1.0
  O  O11  2  0.1711  0.0000  0.1798  1.0
  O  O12  2  0.3271  0.5000  0.8191  1.0
  O  O13  2  0.3298  0.5000  0.5210  1.0
  O  O14  2  0.3479  0.0000  0.9344  1.0
]