data_[Rb1Cu1S2O8]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0848]
_cell_length_b [5.0077]
_cell_length_c [8.6715]
_cell_angle_alpha [74.6314]
_cell_angle_beta [87.2064]
_cell_angle_gamma [72.6056]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbCu(SO4)2]
_chemical_formula_sum '[Rb1 Cu1 S2 O8]'
_cell_volume [163.1242]
_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  Rb0  1  0.0000  0.5000  0.0000  1
  Cu  Cu1  1  0.0000  0.0000  0.5000  1
  S  S2  2  0.4387  0.1181  0.7282  1
  O  O3  2  0.1889  0.2270  0.5845  1
  O  O4  2  0.2371  0.0951  0.3147  1
  O  O5  2  0.3191  0.9452  0.8688  1
  O  O6  2  0.4989  0.3790  0.7474  1
]