data_[Ta4Fe4O16]
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 [C2/c]
_cell_length_a [6.6238]
_cell_length_b [10.2629]
_cell_length_c [4.9251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.7417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TaFeO4]
_chemical_formula_sum '[Ta4 Fe4 O16]'
_cell_volume [249.8180]
_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
[
  Ta  Ta0  4  0.0000  0.1310  0.2500  1.0
  Fe  Fe1  4  0.0000  0.4037  0.7500  1.0
  O  O2  8  0.1792  0.2930  0.6493  1.0
  O  O3  8  0.2264  0.0382  0.7395  1.0
]