data_[Sn4Sb1Te2S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5527]
_cell_length_b [4.3704]
_cell_length_c [7.6317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sn4SbTe2S]
_chemical_formula_sum '[Sn4 Sb1 Te2 S1]'
_cell_volume [237.4112]
_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
[
  Sn  Sn0  2  0.2341  0.0000  0.7288  1
  Sn  Sn1  2  0.2489  0.5000  0.2666  1
  Sb  Sb2  1  0.5000  0.0000  0.5000  1
  Te  Te3  1  0.0000  0.0000  0.0000  1
  Te  Te4  1  0.5000  0.5000  0.0000  1
  S  S5  1  0.0000  0.5000  0.5000  1
]