data_[Te5O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7326]
_cell_length_b [9.0231]
_cell_length_c [16.8950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [105.1098]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Te5O8]
_chemical_formula_sum '[Te5 O8]'
_cell_volume [990.8703]
_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
[
  Te  Te0  1  0.1980  0.6698  0.5502  1
  Te  Te1  1  0.2354  0.3852  0.4459  1
  Te  Te2  1  0.3266  0.0478  0.4634  1
  Te  Te3  1  0.6524  0.6704  0.4573  1
  Te  Te4  1  0.7208  0.3099  0.5353  1
  O  O5  1  0.1511  0.8726  0.5250  1
  O  O6  1  0.1569  0.5991  0.4425  1
  O  O7  1  0.2706  0.4375  0.5546  1
  O  O8  1  0.5014  0.7586  0.5357  1
  O  O9  1  0.5279  0.0990  0.5511  1
  O  O10  1  0.5443  0.3117  0.4465  1
  O  O11  1  0.7868  0.5621  0.5306  1
  O  O12  1  0.9278  0.2762  0.4620  1
]