data_[Sr8Ta12O40]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6764]
_cell_length_b [6.1016]
_cell_length_c [7.8729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Ta3O10]
_chemical_formula_sum '[Sr8 Ta12 O40]'
_cell_volume [828.2255]
_cell_formula_units_Z [4]
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  0.1065  0.5000  0.6866  1
  Sr  Sr1  4  0.2156  0.5000  0.3481  1
  Ta  Ta2  4  0.0000  0.2567  0.0000  1
  Ta  Ta3  4  0.0814  0.0000  0.4731  1
  Ta  Ta4  4  0.1848  0.0000  0.0294  1
  O  O5  8  0.1095  0.2333  0.0303  1
  O  O6  8  0.1468  0.2367  0.4689  1
  O  O7  4  0.0000  0.2173  0.5000  1
  O  O8  4  0.0157  0.5000  0.1751  1
  O  O9  4  0.0234  0.0000  0.1849  1
  O  O10  4  0.1371  0.0000  0.7455  1
  O  O11  4  0.2432  0.0000  0.2839  1
  O  O12  4  0.2500  0.2500  0.0000  1
]