data_[Na2Al2Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.9003]
_cell_length_b [4.2757]
_cell_length_c [10.5550]
_cell_angle_alpha [92.1308]
_cell_angle_beta [97.1642]
_cell_angle_gamma [90.0050]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaAlTc]
_chemical_formula_sum '[Na2 Al2 Tc2]'
_cell_volume [129.7762]
_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
[
  Na  Na0  1  0.1145  0.1458  0.0948  1
  Na  Na1  1  0.5110  0.6205  0.8164  1
  Al  Al2  1  0.2191  0.6621  0.3159  1
  Al  Al3  1  0.3438  0.1023  0.5952  1
  Tc  Tc4  1  0.7482  0.1665  0.3803  1
  Tc  Tc5  1  0.8170  0.5976  0.5305  1
]