data_[Ag2Sn6S12]
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 [P2_1/m]
_cell_length_a [10.0646]
_cell_length_b [3.7187]
_cell_length_c [14.3830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ag(SnS2)3]
_chemical_formula_sum '[Ag2 Sn6 S12]'
_cell_volume [505.7271]
_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  0.3545  0.2500  0.0478  1.0
  Sn  Sn1  2  0.0226  0.2500  0.1240  1.0
  Sn  Sn2  2  0.2911  0.2500  0.7572  1.0
  Sn  Sn3  2  0.4266  0.7500  0.5829  1.0
  S  S4  2  0.0329  0.2500  0.7692  1.0
  S  S5  2  0.1749  0.7500  0.0492  1.0
  S  S6  2  0.1940  0.7500  0.6228  1.0
  S  S7  2  0.3342  0.2500  0.4498  1.0
  S  S8  2  0.3820  0.7500  0.8891  1.0
  S  S9  2  0.4756  0.7500  0.2844  1.0
]