data_[Al2Cr4Ag4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1025]
_cell_length_b [10.1682]
_cell_length_c [7.5608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlCr2(AgS3)2]
_chemical_formula_sum '[Al2 Cr4 Ag4 S12]'
_cell_volume [452.0685]
_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
[
  Al  Al0  2  0.0000  0.0000  0.5000  1
  Cr  Cr1  4  0.0000  0.3509  0.5000  1
  Ag  Ag2  4  0.0000  0.1678  0.0000  1
  S  S3  8  0.1101  0.1705  0.3267  1
  S  S4  4  0.1094  0.5000  0.3080  1
]