data_[Ac12Ge6P4S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.8658]
_cell_length_b [4.4421]
_cell_length_c [9.1560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6Ge3P2S]
_chemical_formula_sum '[Ac12 Ge6 P4 S2]'
_cell_volume [777.8467]
_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  4  0.0025  0.0000  0.2482  1
  Ac  Ac1  4  0.1648  0.5000  0.0919  1
  Ac  Ac2  4  0.1694  0.5000  0.5765  1
  Ge  Ge3  4  0.1657  0.0000  0.8356  1
  Ge  Ge4  2  0.0000  0.5000  0.5000  1
  P  P5  4  0.1656  0.0000  0.3317  1
  S  S6  2  0.0000  0.5000  0.0000  1
]