data_[Sm4Hf2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Hf  1.3000  1.5500  0.8500
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [5.8058]
_cell_length_b [5.8058]
_cell_length_c [18.1567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Sm2Hf]
_chemical_formula_sum '[Sm4 Hf2]'
_cell_volume [530.0231]
_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
[
  Sm  Sm0  3  0.0000  0.6780  0.4266  1
  Sm  Sm1  1  0.0000  0.0000  0.6005  1
  Hf  Hf2  2  0.3333  0.6667  0.5598  1
]