data_[Rb1Ti1Ge1Te6]
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
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5399]
_cell_length_b [6.4170]
_cell_length_c [9.9850]
_cell_angle_alpha [98.2344]
_cell_angle_beta [104.3721]
_cell_angle_gamma [101.7536]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbTiGeTe6]
_chemical_formula_sum '[Rb1 Ti1 Ge1 Te6]'
_cell_volume [329.5385]
_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  1  0.0698  0.9324  0.9980  1.0
  Ti  Ti1  1  0.0616  0.3715  0.4845  1.0
  Ge  Ge2  1  0.8817  0.7261  0.5265  1.0
  Te  Te3  1  0.0984  0.5623  0.2592  1.0
  Te  Te4  1  0.2513  0.1011  0.6834  1.0
  Te  Te5  1  0.4471  0.2918  0.3384  1.0
  Te  Te6  1  0.5174  0.6920  0.6670  1.0
  Te  Te7  1  0.7692  0.9495  0.3156  1.0
  Te  Te8  1  0.9031  0.3731  0.7273  1.0
]