data_[Sr8Ge4Bi4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ge  2.0100  1.2500  0.7700
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2918]
_cell_length_b [17.5530]
_cell_length_c [12.2211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2GeBiS5]
_chemical_formula_sum '[Sr8 Ge4 Bi4 S20]'
_cell_volume [920.6627]
_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
[
  Sr  Sr0  4  0.0000  0.1134  0.6848  1.0
  Sr  Sr1  4  0.0000  0.1228  0.3328  1.0
  Ge  Ge2  4  0.0000  0.4524  0.4335  1.0
  Bi  Bi3  4  0.0000  0.2041  0.0347  1.0
  S  S4  4  0.0000  0.0276  0.0079  1.0
  S  S5  4  0.0000  0.2887  0.6849  1.0
  S  S6  4  0.0000  0.3247  0.3718  1.0
  S  S7  4  0.0000  0.3521  0.0097  1.0
  S  S8  4  0.0000  0.4940  0.7639  1.0
]