data_[Rb4Ba1Si2O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5011]
_cell_length_b [6.6644]
_cell_length_c [7.2419]
_cell_angle_alpha [107.0318]
_cell_angle_beta [105.1831]
_cell_angle_gamma [101.5988]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb4BaSi2O7]
_chemical_formula_sum '[Rb4 Ba1 Si2 O7]'
_cell_volume [276.1021]
_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  2  0.1123  0.5737  0.8101  1
  Rb  Rb1  2  0.3026  0.0826  0.7436  1
  Ba  Ba2  1  0.5000  0.5000  0.5000  1
  Si  Si3  2  0.2035  0.0329  0.2112  1
  O  O4  2  0.1436  0.1951  0.3992  1
  O  O5  2  0.2116  0.7958  0.2288  1
  O  O6  2  0.4329  0.1697  0.1896  1
  O  O7  1  0.0000  0.0000  0.0000  1
]