data_[Ge4Te8H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [14.2194]
_cell_length_b [3.8895]
_cell_length_c [7.4028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [GeTe2H]
_chemical_formula_sum '[Ge4 Te8 H4]'
_cell_volume [408.5995]
_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  4  0.2295  0.2661  0.5357  1
  Te  Te1  4  0.1200  0.2332  0.2212  1
  Te  Te2  4  0.3707  0.2298  0.9261  1
  H  H3  4  0.4155  0.2852  0.1418  1
]