data_[Tb4Fe8B12]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.3232]
_cell_length_b [5.8985]
_cell_length_c [5.0450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TbFe2B3]
_chemical_formula_sum '[Tb4 Fe8 B12]'
_cell_volume [247.6796]
_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
[
  Tb  Tb0  4  0.0000  0.3310  0.7500  1.0
  Fe  Fe1  8  0.1938  0.0000  0.0000  1.0
  B  B2  8  0.1783  0.2903  0.2500  1.0
  B  B3  4  0.0000  0.1336  0.2500  1.0
]