data_[Ta12Fe6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [4.8200]
_cell_length_b [9.3269]
_cell_length_c [14.4386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Ta2FeO6]
_chemical_formula_sum '[Ta12 Fe6 O36]'
_cell_volume [649.0989]
_cell_formula_units_Z [6]
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
[
  Ta  Ta0  2  0.0030  0.6653  0.6656  1
  Ta  Ta1  2  0.0043  0.0039  0.6668  1
  Ta  Ta2  2  0.4951  0.5040  0.1686  1
  Ta  Ta3  2  0.4958  0.1557  0.8350  1
  Ta  Ta4  1  0.0000  0.3292  0.0000  1
  Ta  Ta5  1  0.0000  0.6837  0.0000  1
  Ta  Ta6  1  0.5000  0.1648  0.5000  1
  Ta  Ta7  1  0.5000  0.5006  0.5000  1
  Fe  Fe8  2  0.0066  0.3341  0.3310  1
  Fe  Fe9  2  0.4949  0.8319  0.8349  1
  Fe  Fe10  1  0.0000  0.9988  0.0000  1
  Fe  Fe11  1  0.5000  0.8330  0.5000  1
  O  O12  2  0.1883  0.8339  0.3949  1
  O  O13  2  0.1896  0.8337  0.7287  1
  O  O14  2  0.1966  0.4935  0.0654  1
  O  O15  2  0.1988  0.8173  0.0693  1
  O  O16  2  0.2048  0.5147  0.7360  1
  O  O17  2  0.2055  0.1857  0.0691  1
  O  O18  2  0.2065  0.1551  0.7345  1
  O  O19  2  0.2074  0.1521  0.4022  1
  O  O20  2  0.2086  0.5154  0.4020  1
  O  O21  2  0.2864  0.0158  0.2339  1
  O  O22  2  0.2907  0.6511  0.2344  1
  O  O23  2  0.2930  0.6527  0.5687  1
  O  O24  2  0.2942  0.0138  0.5686  1
  O  O25  2  0.2952  0.6454  0.9046  1
  O  O26  2  0.2972  0.3332  0.8981  1
  O  O27  2  0.3059  0.0163  0.9027  1
  O  O28  2  0.3108  0.3335  0.5621  1
  O  O29  2  0.3248  0.3368  0.2299  1
]