data_[Ag2Sn1As1S4]
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 [P1]
_cell_length_a [4.0322]
_cell_length_b [6.6302]
_cell_length_c [6.7435]
_cell_angle_alpha [81.6504]
_cell_angle_beta [88.7771]
_cell_angle_gamma [73.4855]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ag2SnAsS4]
_chemical_formula_sum '[Ag2 Sn1 As1 S4]'
_cell_volume [170.9741]
_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
[
  Ag  Ag0  1  0.7007  0.4423  0.7840  1.0
  Ag  Ag1  1  0.9089  0.9760  0.5200  1.0
  Sn  Sn2  1  0.3843  0.9537  0.0090  1.0
  As  As3  1  0.2087  0.4590  0.2922  1.0
  S  S4  1  0.3141  0.2614  0.6134  1.0
  S  S5  1  0.4471  0.7213  0.3663  1.0
  S  S6  1  0.6957  0.2260  0.1601  1.0
  S  S7  1  0.9535  0.7344  0.8679  1.0
]