data_[Ge8Te16Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.5436]
_cell_length_b [11.9805]
_cell_length_c [8.3069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ge2Te4Cl3]
_chemical_formula_sum '[Ge8 Te16 Cl12]'
_cell_volume [1343.2654]
_cell_formula_units_Z [4]
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  8  0.2095  0.3749  0.5495  1
  Te  Te1  8  0.1091  0.1946  0.4614  1
  Te  Te2  8  0.1718  0.4329  0.8793  1
  Cl  Cl3  8  0.1634  0.1189  0.9996  1
  Cl  Cl4  4  0.0000  0.4691  0.2500  1
]