data_[Ac4Si2Ag2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4473]
_cell_length_b [7.5142]
_cell_length_c [11.3658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ac2SiAgS6]
_chemical_formula_sum '[Ac4 Si2 Ag2 S12]'
_cell_volume [456.4433]
_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  0.2870  0.1048  0.2453  1
  Si  Si1  2  0.0000  0.0000  0.5000  1
  Ag  Ag2  2  0.5000  0.0000  0.0000  1
  S  S3  4  0.1438  0.0111  0.7377  1
  S  S4  4  0.2192  0.7010  0.5455  1
  S  S5  4  0.3297  0.1556  0.5372  1
]