data_[Tm8Fe20B16]
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 [Fmmm]
_cell_length_a [4.9847]
_cell_length_b [9.3182]
_cell_length_c [10.8234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tm2Fe5B4]
_chemical_formula_sum '[Tm8 Fe20 B16]'
_cell_volume [502.7292]
_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  8  0.0000  0.0000  0.1459  1.0
  Fe  Fe1  8  0.2500  0.2500  0.0000  1.0
  Fe  Fe2  8  0.2500  0.2500  0.2500  1.0
  Fe  Fe3  4  0.0000  0.0000  0.5000  1.0
  B  B4  16  0.0000  0.1509  0.3644  1.0
]