data_[Tm8Fe56B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Fe  1.8300  1.4000  0.8525
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [8.6934]
_cell_length_b [8.6934]
_cell_length_c [11.8197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Tm2Fe14B]
_chemical_formula_sum '[Tm8 Fe56 B4]'
_cell_volume [893.2634]
_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
[
  Tm  Tm0  4  0.1435  0.8565  0.0000  1
  Tm  Tm1  4  0.2338  0.7662  0.5000  1
  Fe  Fe2  16  0.0372  0.3581  0.1741  1
  Fe  Fe3  16  0.0656  0.2756  0.3739  1
  Fe  Fe4  8  0.0969  0.0969  0.1990  1
  Fe  Fe5  8  0.1833  0.8167  0.2539  1
  Fe  Fe6  4  0.0000  0.0000  0.3840  1
  Fe  Fe7  4  0.0000  0.5000  0.0000  1
  B  B8  4  0.1256  0.1256  0.5000  1
]