data_[Hf2Sc16Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0817]
_cell_length_b [14.1541]
_cell_length_c [5.2542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf(Sc4Sn)2]
_chemical_formula_sum '[Hf2 Sc16 Sn4]'
_cell_volume [531.1773]
_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
[
  Hf  Hf0  2  0.0000  0.0000  0.5000  1
  Sc  Sc1  8  0.2076  0.8900  0.1315  1
  Sc  Sc2  4  0.0000  0.2095  0.5000  1
  Sc  Sc3  4  0.0975  0.5000  0.2933  1
  Sn  Sn4  4  0.0000  0.3056  0.0000  1
]