data_[Ge2H6S2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [6.0962]
_cell_length_b [7.9025]
_cell_length_c [8.7382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [GeH3SBr3]
_chemical_formula_sum '[Ge2 H6 S2 Br6]'
_cell_volume [419.1434]
_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  2  0.9841  0.2707  0.9827  1.0
  H  H1  2  0.4414  0.0625  0.4644  1.0
  H  H2  2  0.4570  0.2306  0.2895  1.0
  H  H3  2  0.7297  0.1226  0.3888  1.0
  S  S4  2  0.5496  0.2129  0.4410  1.0
  Br  Br5  2  0.4073  0.2382  0.0263  1.0
  Br  Br6  2  0.9457  0.0380  0.7713  1.0
  Br  Br7  2  0.9770  0.4812  0.3079  1.0
]