data_[Te2Se2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.5295]
_cell_length_b [3.7083]
_cell_length_c [8.7140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TeSeO]
_chemical_formula_sum '[Te2 Se2 O2]'
_cell_volume [143.4499]
_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
[
  Te  Te0  2  0.0486  0.7500  0.8392  1
  Se  Se1  2  0.2754  0.7500  0.3363  1
  O  O2  2  0.2164  0.2500  0.0094  1
]