data_[Sn4Te6]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4422]
_cell_length_b [6.4460]
_cell_length_c [9.5985]
_cell_angle_alpha [74.5417]
_cell_angle_beta [74.3260]
_cell_angle_gamma [62.2206]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sn2Te3]
_chemical_formula_sum '[Sn4 Te6]'
_cell_volume [334.8812]
_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  1  0.1146  0.5113  0.7323  1.0
  Sn  Sn1  1  0.3141  0.8902  0.9639  1.0
  Sn  Sn2  1  0.5139  0.1095  0.2289  1.0
  Sn  Sn3  1  0.9009  0.3153  0.4606  1.0
  Te  Te4  1  0.0561  0.3537  0.0887  1.0
  Te  Te5  1  0.3555  0.0523  0.5981  1.0
  Te  Te6  1  0.4330  0.6427  0.2803  1.0
  Te  Te7  1  0.6379  0.4326  0.7727  1.0
  Te  Te8  1  0.8009  0.9513  0.9251  1.0
  Te  Te9  1  0.9450  0.8132  0.4272  1.0
]