data_[Ge10Te8S2]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.1292]
_cell_length_b [29.5195]
_cell_length_c [4.3859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ge5Te4S]
_chemical_formula_sum '[Ge10 Te8 S2]'
_cell_volume [534.6011]
_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  0.0000  0.0936  0.9768  1
  Ge  Ge1  4  0.0000  0.2996  0.9714  1
  Ge  Ge2  2  0.0000  0.5000  0.9027  1
  Te  Te3  4  0.0000  0.1978  0.0364  1
  Te  Te4  4  0.0000  0.4010  0.0396  1
  S  S5  2  0.0000  0.0000  0.0544  1
]