data_[Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2476]
_cell_length_b [4.2477]
_cell_length_c [19.3201]
_cell_angle_alpha [86.7568]
_cell_angle_beta [85.3455]
_cell_angle_gamma [59.9982]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Te]
_chemical_formula_sum '[Te6]'
_cell_volume [300.8305]
_cell_formula_units_Z [6]
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
[
  Te  Te0  2  0.0821  0.1410  0.2640  1
  Te  Te1  2  0.1907  0.1739  0.9250  1
  Te  Te2  2  0.4455  0.4836  0.1698  1
]