data_[Ag4Sn4As4S16]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.6521]
_cell_length_b [7.7492]
_cell_length_c [10.7500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [AgSnAsS4]
_chemical_formula_sum '[Ag4 Sn4 As4 S16]'
_cell_volume [637.4478]
_cell_formula_units_Z [4]
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  4  0.0000  0.2500  0.3660  1.0
  Sn  Sn1  4  0.0000  0.0000  0.0000  1.0
  As  As2  4  0.2500  0.2500  0.7500  1.0
  S  S3  8  0.0000  0.0205  0.7612  1.0
  S  S4  8  0.2317  0.2500  0.9944  1.0
]