data_[Ac2Ag2Ge2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5206]
_cell_length_b [7.0186]
_cell_length_c [7.6699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcAgGeS4]
_chemical_formula_sum '[Ac2 Ag2 Ge2 S8]'
_cell_volume [340.7959]
_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
[
  Ac  Ac0  2  0.2330  0.2500  0.0577  1
  Ag  Ag1  2  0.1988  0.2500  0.5368  1
  Ge  Ge2  2  0.2395  0.7500  0.3168  1
  S  S3  4  0.0012  0.0121  0.7362  1
  S  S4  2  0.3617  0.7500  0.0682  1
  S  S5  2  0.4681  0.7500  0.5786  1
]