data_[Ba2Ta4H4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ta  1.5000  1.4500  0.8200
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.0007]
_cell_length_b [19.4762]
_cell_length_c [4.0304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaTa2H2O7]
_chemical_formula_sum '[Ba2 Ta4 H4 O14]'
_cell_volume [314.0406]
_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  0.0000  0.0440  1.0
  Ta  Ta1  4  0.0000  0.3896  0.0336  1.0
  H  H2  4  0.0000  0.2602  0.2489  1.0
  O  O3  4  0.0000  0.1005  0.5517  1.0
  O  O4  4  0.0000  0.2914  0.0599  1.0
  O  O5  4  0.0000  0.3966  0.5549  1.0
  O  O6  2  0.0000  0.5000  0.0584  1.0
]