data_[Cs6Ge2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.9376]
_cell_length_b [15.5489]
_cell_length_c [7.6982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Cs3GeTe4]
_chemical_formula_sum '[Cs6 Ge2 Te8]'
_cell_volume [830.4212]
_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
[
  Cs  Cs0  4  0.0000  0.2883  0.3160  1.0
  Cs  Cs1  2  0.0000  0.0000  0.2062  1.0
  Ge  Ge2  2  0.0000  0.5000  0.9781  1.0
  Te  Te3  4  0.0000  0.3577  0.8019  1.0
  Te  Te4  4  0.2278  0.0000  0.7145  1.0
]