data_[Na6Tc2H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tc  1.9000  1.3500  0.7417
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.6002]
_cell_length_b [5.6002]
_cell_length_c [7.3551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Na3TcH8]
_chemical_formula_sum '[Na6 Tc2 H16]'
_cell_volume [230.6740]
_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  4  0.0000  0.5000  0.2500  1
  Na  Na1  2  0.0000  0.0000  0.5000  1
  Tc  Tc2  2  0.0000  0.0000  0.0000  1
  H  H3  8  0.1204  0.1204  0.1886  1
  H  H4  8  0.2116  0.2116  0.9444  1
]