data_[Mn4Al2Ag4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  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 [5.9436]
_cell_length_b [10.3453]
_cell_length_c [7.6466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5490]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2Al(AgS3)2]
_chemical_formula_sum '[Mn4 Al2 Ag4 S12]'
_cell_volume [450.6984]
_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
[
  Mn  Mn0  4  0.0000  0.3392  0.5000  1.0
  Al  Al1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  4  0.0000  0.1797  0.0000  1.0
  S  S3  8  0.1053  0.1714  0.3256  1.0
  S  S4  4  0.0965  0.5000  0.3235  1.0
]