data_[Cs2Ge2Sb2Te6]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.8363]
_cell_length_b [4.3244]
_cell_length_c [12.3136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsGeSbTe3]
_chemical_formula_sum '[Cs2 Ge2 Sb2 Te6]'
_cell_volume [481.2264]
_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  2  0.0484  0.7500  0.2871  1.0
  Ge  Ge1  2  0.4384  0.7500  0.5530  1.0
  Sb  Sb2  2  0.4798  0.2500  0.8455  1.0
  Te  Te3  2  0.2604  0.2500  0.5790  1.0
  Te  Te4  2  0.2969  0.7500  0.9028  1.0
  Te  Te5  2  0.3448  0.2500  0.2258  1.0
]