data_[Ge4Te16As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5757]
_cell_length_b [11.9932]
_cell_length_c [5.8765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ge2Te8As]
_chemical_formula_sum '[Ge4 Te16 As2]'
_cell_volume [808.8420]
_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
[
  Ge  Ge0  4  0.2339  0.0000  0.6437  1
  Te  Te1  8  0.0789  0.1724  0.7037  1
  Te  Te2  4  0.0082  0.5000  0.2521  1
  Te  Te3  4  0.2436  0.0000  0.1671  1
  As  As4  2  0.0000  0.0000  0.0000  1
]