data_[Ba2Te4H12O4]
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 [C2/m]
_cell_length_a [10.6332]
_cell_length_b [5.7242]
_cell_length_c [7.0139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4089]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTe2(H3O)2]
_chemical_formula_sum '[Ba2 Te4 H12 O4]'
_cell_volume [391.7726]
_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  4  0.2220  0.0000  0.7258  1
  H  H2  8  0.1602  0.1497  0.1836  1
  H  H3  4  0.1428  0.0000  0.3723  1
  O  O4  4  0.1140  0.0000  0.2085  1
]