data_[Ba2Te2Se4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [C2/m]
_cell_length_a [11.7379]
_cell_length_b [5.6237]
_cell_length_c [6.9689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTe(SeO4)2]
_chemical_formula_sum '[Ba2 Te2 Se4 O16]'
_cell_volume [406.0309]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.5000  1
  Te  Te1  2  0.0000  0.0000  0.0000  1
  Se  Se2  4  0.2054  0.5000  0.1839  1
  O  O3  8  0.1292  0.2678  0.2406  1
  O  O4  4  0.1387  0.0000  0.6421  1
  O  O5  4  0.1706  0.5000  0.9246  1
]