data_[Te3O2]
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 [Pm]
_cell_length_a [4.0891]
_cell_length_b [3.3781]
_cell_length_c [20.2021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Te3O2]
_chemical_formula_sum '[Te3 O2]'
_cell_volume [279.0637]
_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  0.4873  0.5000  0.3462  1
  Te  Te1  1  0.4940  0.5000  0.6037  1
  Te  Te2  1  0.9770  0.5000  0.4491  1
  O  O3  1  0.4936  0.5000  0.5075  1
  O  O4  1  0.9963  0.5000  0.5935  1
]