data_[Hf16Tc4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Tc  1.9000  1.3500  0.7417
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1424]
_cell_length_b [18.3029]
_cell_length_c [5.8629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hf4TcSn]
_chemical_formula_sum '[Hf16 Tc4 Sn4]'
_cell_volume [551.8254]
_cell_formula_units_Z [4]
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  8  0.0000  0.2984  0.5016  1
  Hf  Hf1  4  0.0000  0.1129  0.7500  1
  Hf  Hf2  4  0.0000  0.4460  0.7500  1
  Tc  Tc3  4  0.0000  0.4166  0.2500  1
  Sn  Sn4  4  0.0000  0.1509  0.2500  1
]