data_[Al2V12Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2309]
_cell_length_b [6.0693]
_cell_length_c [8.5335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [AlV6Tc]
_chemical_formula_sum '[Al2 V12 Tc2]'
_cell_volume [219.1272]
_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  2  0.5000  0.0000  0.3761  1
  V  V1  4  0.0000  0.2339  0.8746  1
  V  V2  4  0.5000  0.2488  0.6247  1
  V  V3  2  0.0000  0.0000  0.6187  1
  V  V4  2  0.5000  0.0000  0.8731  1
  Tc  Tc5  2  0.0000  0.0000  0.1331  1
]