data_[Sr8Ge2S10]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.4420]
_cell_length_b [9.4420]
_cell_length_c [6.0243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Sr4GeS5]
_chemical_formula_sum '[Sr8 Ge2 S10]'
_cell_volume [537.0699]
_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
[
  Sr  Sr0  8  0.1011  0.2998  0.5034  1.0
  Ge  Ge1  2  0.0000  0.0000  0.0393  1.0
  S  S2  8  0.0973  0.2935  0.0051  1.0
  S  S3  2  0.0000  0.0000  0.4367  1.0
]