data_[Y21Tm36Hf3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Hf  1.3000  1.5500  0.8500
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.6001]
_cell_length_b [12.6001]
_cell_length_c [13.5558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Y7Tm12Hf]
_chemical_formula_sum '[Y21 Tm36 Hf3]'
_cell_volume [1863.8262]
_cell_formula_units_Z [3]
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
[
  Y  Y0  18  0.0666  0.1994  0.8555  1
  Y  Y1  3  0.0000  0.0000  0.5000  1
  Tm  Tm2  18  0.0044  0.5674  0.2461  1
  Tm  Tm3  18  0.0664  0.8665  0.3450  1
  Hf  Hf4  3  0.0000  0.0000  0.0000  1
]