data_[Al8Tc4Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.8675]
_cell_length_b [7.8675]
_cell_length_c [5.2811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [Al2TcSn]
_chemical_formula_sum '[Al8 Tc4 Sn4]'
_cell_volume [326.8935]
_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
[
  Al  Al0  8  0.1817  0.7500  0.6250  1
  Tc  Tc1  4  0.0000  0.0000  0.5000  1
  Sn  Sn2  4  0.0000  0.0000  0.0000  1
]