data_[Rb12Ti4Te12]
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/m]
_cell_length_a [9.6462]
_cell_length_b [14.7918]
_cell_length_c [9.0157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3TiTe3]
_chemical_formula_sum '[Rb12 Ti4 Te12]'
_cell_volume [1235.5979]
_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  4  0.0000  0.1714  0.5000  1.0
  Rb  Rb1  4  0.0000  0.2748  0.0000  1.0
  Rb  Rb2  4  0.1059  0.5000  0.3673  1.0
  Ti  Ti3  4  0.1408  0.0000  0.1347  1.0
  Te  Te4  8  0.2187  0.3537  0.7262  1.0
  Te  Te5  4  0.1283  0.0000  0.8333  1.0
]