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/m]
_cell_length_a [12.7001]
_cell_length_b [3.8879]
_cell_length_c [6.7344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5597]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaFeO4]
_chemical_formula_sum '[Ta4 Fe4 O16]'
_cell_volume [317.0278]
_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  0.1041  0.0000  0.2233  1.0
  Fe  Fe1  4  0.1968  0.0000  0.8071  1.0
  O  O2  4  0.0545  0.0000  0.8689  1.0
  O  O3  4  0.1341  0.5000  0.2027  1.0
  O  O4  4  0.1360  0.0000  0.5082  1.0
  O  O5  4  0.2444  0.5000  0.8524  1.0
]