data_[Sr6Ta2H2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [Cm]
_cell_length_a [8.4742]
_cell_length_b [8.6482]
_cell_length_c [6.2597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.5783]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sr3TaHO6]
_chemical_formula_sum '[Sr6 Ta2 H2 O12]'
_cell_volume [348.4300]
_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  4  0.0619  0.2788  0.6251  1.0
  Sr  Sr1  2  0.0062  0.0000  0.9864  1.0
  Ta  Ta2  2  0.4978  0.0000  0.0172  1.0
  H  H3  2  0.2123  0.0000  0.5336  1.0
  O  O4  4  0.4534  0.2232  0.9167  1.0
  O  O5  2  0.1300  0.5000  0.4051  1.0
  O  O6  2  0.1858  0.0000  0.8000  1.0
  O  O7  2  0.2192  0.5000  0.9968  1.0
  O  O8  2  0.2982  0.0000  0.4773  1.0
]