data_[Sn2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.1052]
_cell_length_b [4.1092]
_cell_length_c [11.0411]
_cell_angle_alpha [98.0168]
_cell_angle_beta [90.6368]
_cell_angle_gamma [90.0075]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SnS]
_chemical_formula_sum '[Sn2 S2]'
_cell_volume [184.4201]
_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
[
  Sn  Sn0  2  0.2578  0.3042  0.6352  1.0
  S  S1  2  0.2470  0.2124  0.3996  1.0
]