data_[Rb2Ca2S2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3728]
_cell_length_b [5.8185]
_cell_length_c [7.6448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9096]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbCaSO4]
_chemical_formula_sum '[Rb2 Ca2 S2 O8]'
_cell_volume [230.9445]
_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  0.3272  0.2500  0.8870  1
  Ca  Ca1  2  0.3049  0.7500  0.5224  1
  S  S2  2  0.1397  0.2500  0.2848  1
  O  O3  4  0.3191  0.0243  0.2944  1
  O  O4  2  0.1408  0.2500  0.4927  1
  O  O5  2  0.1721  0.7500  0.7920  1
]