[CIF]
data_BaGe2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.71781512
_cell_length_b   10.71781512
_cell_length_c   10.71781512
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGe2S5
_chemical_formula_sum   'Ba4 Ge8 S20'
_cell_volume   870.57017774
_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
  Ba  Ba0  1  5.68397981  1.89465994  5.68397981  1
  Ba  Ba1  1  1.89465994  5.68397981  5.68397981  1
  Ba  Ba2  1  5.68397981  5.68397981  1.89465994  1
  Ba  Ba3  1  1.89465994  1.89465994  1.89465994  1
  Ge  Ge4  1  8.84127059  6.31600891  8.84127059  1
  Ge  Ge5  1  12.63059046  10.10532879  10.10532879  1
  Ge  Ge6  1  10.10532879  10.10532879  12.63059046  1
  Ge  Ge7  1  12.63059046  12.63059046  12.63059046  1
  Ge  Ge8  1  6.31600891  6.31600891  6.31600891  1
  Ge  Ge9  1  8.84127059  8.84127059  6.31600891  1
  Ge  Ge10  1  6.31600891  8.84127059  8.84127059  1
  Ge  Ge11  1  10.10532879  12.63059046  10.10532879  1
  S  S12  1  7.57863975  4.94291889  7.57863975  1
  S  S13  1  10.21436061  7.57863975  7.57863975  1
  S  S14  1  7.57863975  7.57863975  10.21436061  1
  S  S15  1  8.84983965  8.84983965  13.88607960  1
  S  S16  1  13.88607960  13.88607960  13.88607960  1
  S  S17  1  13.88607960  8.84983965  8.84983965  1
  S  S18  1  14.00368048  11.36795963  11.36795963  1
  S  S19  1  11.36795963  11.36795962  14.00368048  1
  S  S20  1  11.36795963  8.73223877  11.36795963  1
  S  S21  1  10.09675972  5.06051978  10.09675972  1
  S  S22  1  8.84983965  13.88607960  8.84983965  1
  S  S23  1  7.57863975  7.57863975  4.94291889  1
  S  S24  1  4.94291889  7.57863975  7.57863975  1
  S  S25  1  7.57863975  10.21436061  7.57863975  1
  S  S26  1  5.06051978  10.09675972  10.09675972  1
  S  S27  1  5.06051978  5.06051978  5.06051978  1
  S  S28  1  10.09675972  10.09675972  5.06051978  1
  S  S29  1  11.36795963  14.00368048  11.36795963  1
  S  S30  1  8.73223877  11.36795963  11.36795963  1
  S  S31  1  11.36795963  11.36795963  8.73223877  1
[/CIF]
