data_[Ag2Sn2S4]
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 [Pmn2_1]
_cell_length_a [4.9221]
_cell_length_b [8.1441]
_cell_length_c [4.9317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [AgSnS2]
_chemical_formula_sum '[Ag2 Sn2 S4]'
_cell_volume [197.6959]
_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  0.8780  0.8103  1.0
  Sn  Sn1  2  0.0000  0.3624  0.8276  1.0
  S  S2  2  0.0000  0.1292  0.1409  1.0
  S  S3  2  0.0000  0.6171  0.1545  1.0
]