data_[Li6Tc2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.0911]
_cell_length_b [5.7583]
_cell_length_c [3.3951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li3TcN4]
_chemical_formula_sum '[Li6 Tc2 N8]'
_cell_volume [187.9922]
_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
[
  Li  Li0  4  0.2428  0.0810  0.7041  1
  Li  Li1  2  0.0000  0.9536  0.0000  1
  Tc  Tc2  2  0.0000  0.5776  0.5000  1
  N  N3  4  0.0420  0.2360  0.3939  1
  N  N4  4  0.1516  0.7428  0.7372  1
]