data_[Rb12Ti8Te16]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.6926]
_cell_length_b [11.8857]
_cell_length_c [7.9963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5724]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb3(TiTe2)2]
_chemical_formula_sum '[Rb12 Ti8 Te16]'
_cell_volume [1481.6658]
_cell_formula_units_Z [4]
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  8  0.1264  0.1334  0.0632  1
  Rb  Rb1  4  0.0000  0.4036  0.7500  1
  Ti  Ti2  8  0.2117  0.3710  0.4395  1
  Te  Te3  8  0.1190  0.1887  0.5227  1
  Te  Te4  8  0.1771  0.4404  0.1145  1
]