data_[Sm1Ta1Fe2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [P1]
_cell_length_a [5.4655]
_cell_length_b [5.4722]
_cell_length_c [5.8051]
_cell_angle_alpha [62.1710]
_cell_angle_beta [62.5120]
_cell_angle_gamma [60.2857]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SmTa(FeO3)2]
_chemical_formula_sum '[Sm1 Ta1 Fe2 O6]'
_cell_volume [127.2229]
_cell_formula_units_Z [1]
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
[
  Sm  Sm0  1  0.1971  0.1867  0.4201  1.0
  Ta  Ta1  1  0.6831  0.6841  0.9471  1.0
  Fe  Fe2  1  0.4787  0.4830  0.5663  1.0
  Fe  Fe3  1  0.9826  0.9765  0.0630  1.0
  O  O4  1  0.0490  0.7680  0.7657  1.0
  O  O5  1  0.3022  0.6037  0.2462  1.0
  O  O6  1  0.4120  0.0519  0.7665  1.0
  O  O7  1  0.6146  0.8623  0.2283  1.0
  O  O8  1  0.7530  0.4273  0.7559  1.0
  O  O9  1  0.8661  0.2949  0.2257  1.0
]