data_[Ba2Te1H1O6]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2731]
_cell_length_b [6.1581]
_cell_length_c [6.3146]
_cell_angle_alpha [97.6489]
_cell_angle_beta [113.4527]
_cell_angle_gamma [115.0704]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ba2TeHO6]
_chemical_formula_sum '[Ba2 Te1 H1 O6]'
_cell_volume [158.7569]
_cell_formula_units_Z [1]
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  1  0.4714  0.6879  0.2601  1.0
  Ba  Ba1  1  0.4916  0.2621  0.6912  1.0
  Te  Te2  1  0.9724  0.9725  0.9760  1.0
  H  H3  1  0.1908  0.7663  0.7369  1.0
  O  O4  1  0.0638  0.2428  0.8422  1.0
  O  O5  1  0.4340  0.1322  0.2132  1.0
  O  O6  1  0.5160  0.8057  0.7356  1.0
  O  O7  1  0.8899  0.6908  0.0965  1.0
  O  O8  1  0.9792  0.7559  0.7009  1.0
  O  O9  1  0.9859  0.1780  0.2465  1.0
]