data_[Sr2Te2Se2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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]
_cell_length_a [5.2353]
_cell_length_b [9.6385]
_cell_length_c [5.3981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [SrTeSeO6]
_chemical_formula_sum '[Sr2 Te2 Se2 O12]'
_cell_volume [272.3943]
_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
[
  Sr  Sr0  2  0.0000  0.9943  0.0000  1.0
  Te  Te1  2  0.0000  0.6598  0.5000  1.0
  Se  Se2  2  0.0000  0.3206  0.5000  1.0
  O  O3  4  0.1171  0.5206  0.2770  1.0
  O  O4  4  0.1741  0.8041  0.3002  1.0
  O  O5  4  0.1747  0.1870  0.3034  1.0
]