data_[Te6H18Br26O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.6692]
_cell_length_b [15.8103]
_cell_length_c [8.9776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.2457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Te3H9Br13O4]
_chemical_formula_sum '[Te6 H18 Br26 O8]'
_cell_volume [1372.5740]
_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  4  0.4745  0.1348  0.9841  1
  Te  Te1  2  0.2596  0.5000  0.5592  1
  H  H2  4  0.1741  0.9542  0.2662  1
  H  H3  4  0.3230  0.2595  0.3613  1
  H  H4  4  0.4213  0.2057  0.3396  1
  H  H5  4  0.4398  0.8025  0.5400  1
  H  H6  2  0.0568  0.0000  0.4095  1
  Br  Br7  4  0.0473  0.2547  0.8407  1
  Br  Br8  4  0.2115  0.3796  0.6981  1
  Br  Br9  4  0.2139  0.1372  0.6844  1
  Br  Br10  4  0.2769  0.3850  0.3055  1
  Br  Br11  4  0.4784  0.7343  0.1805  1
  Br  Br12  2  0.0051  0.5000  0.8028  1
  Br  Br13  2  0.0144  0.0000  0.8486  1
  Br  Br14  2  0.4333  0.0000  0.1696  1
  O  O15  4  0.3704  0.2010  0.3925  1
  O  O16  2  0.0180  0.0000  0.2734  1
  O  O17  2  0.2248  0.0000  0.2614  1
]