data_[Ac12Ge2As4S6]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3522]
_cell_length_b [4.4802]
_cell_length_c [8.8554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6GeAs2S3]
_chemical_formula_sum '[Ac12 Ge2 As4 S6]'
_cell_volume [749.9129]
_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  0.0001  0.0000  0.7519  1
  Ac  Ac1  4  0.1657  0.5000  0.0817  1
  Ac  Ac2  4  0.1661  0.5000  0.5835  1
  Ge  Ge3  2  0.0000  0.5000  0.0000  1
  As  As4  4  0.1678  0.0000  0.3351  1
  S  S5  4  0.1674  0.0000  0.8318  1
  S  S6  2  0.0000  0.5000  0.5000  1
]