data_[Sm4Hf1Zn5]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5544]
_cell_length_b [3.5544]
_cell_length_c [18.0097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sm4HfZn5]
_chemical_formula_sum '[Sm4 Hf1 Zn5]'
_cell_volume [227.5293]
_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
[
  Sm  Sm0  2  0.0000  0.0000  0.1879  1.0
  Sm  Sm1  2  0.0000  0.0000  0.3964  1.0
  Hf  Hf2  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn3  2  0.5000  0.5000  0.0797  1.0
  Zn  Zn4  2  0.5000  0.5000  0.2932  1.0
  Zn  Zn5  1  0.5000  0.5000  0.5000  1.0
]