data_[Te4Se4O16]
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 [Cc]
_cell_length_a [8.1643]
_cell_length_b [12.8800]
_cell_length_c [4.4736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [TeSeO4]
_chemical_formula_sum '[Te4 Se4 O16]'
_cell_volume [394.8609]
_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
[
  Te  Te0  4  0.1115  0.1093  0.4870  1.0
  Se  Se1  4  0.1072  0.3757  0.2377  1.0
  O  O2  4  0.1144  0.2448  0.1706  1.0
  O  O3  4  0.1164  0.0480  0.0994  1.0
  O  O4  4  0.2943  0.3957  0.6812  1.0
  O  O5  4  0.4200  0.1113  0.8199  1.0
]