data_[Tb6Fe2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2391]
_cell_length_b [3.7079]
_cell_length_c [8.0902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb3Fe]
_chemical_formula_sum '[Tb6 Fe2]'
_cell_volume [211.5024]
_cell_formula_units_Z [2]
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
[
  Tb  Tb0  2  0.0804  0.7500  0.8445  1.0
  Tb  Tb1  2  0.2393  0.7500  0.4808  1.0
  Tb  Tb2  2  0.4181  0.2500  0.1488  1.0
  Fe  Fe3  2  0.2976  0.2500  0.7482  1.0
]