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 [P1]
_cell_length_a [5.4580]
_cell_length_b [6.1547]
_cell_length_c [6.9749]
_cell_angle_alpha [71.6131]
_cell_angle_beta [68.7437]
_cell_angle_gamma [89.0787]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AgSnS2]
_chemical_formula_sum '[Ag2 Sn2 S4]'
_cell_volume [205.9342]
_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  1  0.1145  0.1606  0.9777  1.0
  Ag  Ag1  1  0.3843  0.8841  0.5019  1.0
  Sn  Sn2  1  0.6031  0.6196  0.0209  1.0
  Sn  Sn3  1  0.9329  0.3758  0.5198  1.0
  S  S4  1  0.2367  0.7922  0.2221  1.0
  S  S5  1  0.4806  0.5015  0.7542  1.0
  S  S6  1  0.7107  0.2720  0.2676  1.0
  S  S7  1  0.9432  0.9382  0.7858  1.0
]