data_[Sn4Te4]
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 [P2_1]
_cell_length_a [18.3366]
_cell_length_b [4.1743]
_cell_length_c [18.3366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [SnTe]
_chemical_formula_sum '[Sn4 Te4]'
_cell_volume [1215.4835]
_cell_formula_units_Z [4]
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  0.0892  0.8508  0.8798  1
  Sn  Sn1  2  0.1901  0.1022  0.1723  1
  Te  Te2  2  0.0383  0.8656  0.1802  1
  Te  Te3  2  0.1861  0.6164  0.0599  1
]