data_[Tb1Er14Hf1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Hf  1.3000  1.5500  0.8500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.9693]
_cell_length_b [6.9693]
_cell_length_c [9.8221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TbEr14Hf]
_chemical_formula_sum '[Tb1 Er14 Hf1]'
_cell_volume [477.0733]
_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  0.5000  0.5000  0.0000  1
  Er  Er1  8  0.2447  0.2447  0.2447  1
  Er  Er2  2  0.0000  0.5000  0.0000  1
  Er  Er3  2  0.0000  0.5000  0.5000  1
  Er  Er4  1  0.0000  0.0000  0.5000  1
  Er  Er5  1  0.5000  0.5000  0.5000  1
  Hf  Hf6  1  0.0000  0.0000  0.0000  1
]