data_[Al4Ge4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7769]
_cell_length_b [9.5024]
_cell_length_c [6.3000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2Ge2S7]
_chemical_formula_sum '[Al4 Ge4 S14]'
_cell_volume [506.3418]
_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
[
  Al  Al0  4  0.0000  0.3207  0.5000  1
  Ge  Ge1  4  0.1854  0.0000  0.8829  1
  S  S2  8  0.2194  0.1885  0.6972  1
  S  S3  4  0.0540  0.5000  0.7845  1
  S  S4  2  0.0000  0.0000  0.0000  1
]