data_[Sc8Ge2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.2785]
_cell_length_b [11.6515]
_cell_length_c [4.0837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc4GeTe3]
_chemical_formula_sum '[Sc8 Ge2 Te6]'
_cell_volume [393.8982]
_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
[
  Sc  Sc0  4  0.0000  0.2314  0.5000  1.0
  Sc  Sc1  4  0.2212  0.0000  0.0000  1.0
  Ge  Ge2  2  0.0000  0.0000  0.5000  1.0
  Te  Te3  4  0.2500  0.2500  0.0000  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
]