data_[Tb1Hf1Ni10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Hf  1.3000  1.5500  0.8500
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9628]
_cell_length_b [4.8005]
_cell_length_c [8.3174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [TbHfNi10]
_chemical_formula_sum '[Tb1 Hf1 Ni10]'
_cell_volume [158.2246]
_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
[
  Tb  Tb0  1  0.0000  0.0000  0.0000  1
  Hf  Hf1  1  0.0000  0.5000  0.5000  1
  Ni  Ni2  4  0.5000  0.2541  0.2570  1
  Ni  Ni3  2  0.0000  0.0000  0.3407  1
  Ni  Ni4  2  0.0000  0.5000  0.1766  1
  Ni  Ni5  1  0.5000  0.0000  0.5000  1
  Ni  Ni6  1  0.5000  0.5000  0.0000  1
]