data_[Rb4Ti2Be2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ti  1.5400  1.4000  0.8517
  Be  1.5700  1.0500  0.5900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.8461]
_cell_length_b [6.8461]
_cell_length_c [9.2333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Rb2TiBeS4]
_chemical_formula_sum '[Rb4 Ti2 Be2 S8]'
_cell_volume [432.7583]
_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  0.0000  0.0000  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.7500  1.0
  Ti  Ti2  2  0.0000  0.5000  0.2500  1.0
  Be  Be3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.1117  0.7582  0.1191  1.0
]