data_[Sn6Te2As2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6504]
_cell_length_b [4.2242]
_cell_length_c [10.4975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sn3TeAsS]
_chemical_formula_sum '[Sn6 Te2 As2 S2]'
_cell_volume [383.5848]
_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  0.1547  0.2500  0.1439  1
  Sn  Sn1  2  0.1644  0.7500  0.5804  1
  Sn  Sn2  2  0.3899  0.7500  0.8886  1
  Te  Te3  2  0.1115  0.2500  0.8395  1
  As  As4  2  0.3884  0.7500  0.1509  1
  S  S5  2  0.1372  0.2500  0.4128  1
]