data_[Ag2Sn4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0143]
_cell_length_b [5.5678]
_cell_length_c [11.9479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [AgSn2S3]
_chemical_formula_sum '[Ag2 Sn4 S6]'
_cell_volume [267.0468]
_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
[
  Ag  Ag0  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn1  4  0.0000  0.5000  0.3345  1.0
  S  S2  4  0.0000  0.0000  0.3315  1.0
  S  S3  2  0.0000  0.0000  0.0000  1.0
]