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 [9.6256]
_cell_length_b [14.7565]
_cell_length_c [8.9988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2076]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3TiTe3]
_chemical_formula_sum '[Rb12 Ti4 Te12]'
_cell_volume [1227.3916]
_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  0.1713  0.0000  1
  Rb  Rb1  4  0.0000  0.2750  0.5000  1
  Rb  Rb2  4  0.1060  0.5000  0.8670  1
  Ti  Ti3  4  0.1407  0.0000  0.6346  1
  Te  Te4  8  0.2187  0.3536  0.2262  1
  Te  Te5  4  0.1283  0.0000  0.3333  1
]