data_[Tb2Hf2Zr28]
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
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.9599]
_cell_length_b [7.5111]
_cell_length_c [10.1397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TbHfZr14]
_chemical_formula_sum '[Tb2 Hf2 Zr28]'
_cell_volume [758.5394]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.6115  1
  Hf  Hf1  2  0.5000  0.0000  0.0515  1
  Zr  Zr2  8  0.2465  0.2136  0.1261  1
  Zr  Zr3  4  0.0000  0.2126  0.9168  1
  Zr  Zr4  4  0.2356  0.0000  0.3995  1
  Zr  Zr5  4  0.2595  0.0000  0.8525  1
  Zr  Zr6  4  0.5000  0.2075  0.3298  1
  Zr  Zr7  2  0.0000  0.0000  0.1961  1
  Zr  Zr8  2  0.0000  0.0000  0.6392  1
]