data_[Si1Ag2Te1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.3548]
_cell_length_b [6.3728]
_cell_length_c [6.4434]
_cell_angle_alpha [104.8653]
_cell_angle_beta [108.3740]
_cell_angle_gamma [109.0525]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SiAg2TeS4]
_chemical_formula_sum '[Si1 Ag2 Te1 S4]'
_cell_volume [214.4595]
_cell_formula_units_Z [1]
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
[
  Si  Si0  1  0.2731  0.5271  0.2925  1.0
  Ag  Ag1  1  0.8619  0.5675  0.6133  1.0
  Ag  Ag2  1  0.8927  0.8860  0.3391  1.0
  Te  Te3  1  0.4919  0.0828  0.2250  1.0
  S  S4  1  0.0825  0.7086  0.1062  1.0
  S  S5  1  0.0940  0.3628  0.4748  1.0
  S  S6  1  0.2890  0.2785  0.0051  1.0
  S  S7  1  0.6280  0.8126  0.5570  1.0
]