data_[Al16Tc2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Tc  1.9000  1.3500  0.7417
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0113]
_cell_length_b [7.3083]
_cell_length_c [11.6873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Al8TcPd2]
_chemical_formula_sum '[Al16 Tc2 Pd4]'
_cell_volume [342.6220]
_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
[
  Al  Al0  8  0.0000  0.2308  0.3404  1
  Al  Al1  4  0.0000  0.0000  0.1479  1
  Al  Al2  4  0.0000  0.2913  0.0000  1
  Tc  Tc3  2  0.0000  0.5000  0.5000  1
  Pd  Pd4  4  0.0000  0.5000  0.1833  1
]