data_[Al12Si2Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2311]
_cell_length_b [3.8944]
_cell_length_c [6.0041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4630]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al6SiTc2]
_chemical_formula_sum '[Al12 Si2 Tc4]'
_cell_volume [266.1600]
_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  4  0.1027  0.5000  0.1546  1
  Al  Al1  4  0.1733  0.0000  0.5024  1
  Al  Al2  4  0.2246  0.5000  0.8442  1
  Tc  Tc3  4  0.0489  0.0000  0.7790  1
  Si  Si4  2  0.0000  0.5000  0.5000  1
]