data_[Li6Cr2Tc4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.9001]
_cell_length_b [8.6888]
_cell_length_c [5.4433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Cr(TcN3)2]
_chemical_formula_sum '[Li6 Cr2 Tc4 N12]'
_cell_volume [221.7528]
_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  0.0000  0.1681  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Cr  Cr2  2  0.0000  0.0000  0.0000  1
  Tc  Tc3  4  0.0000  0.3527  0.0000  1
  N  N4  8  0.2345  0.1620  0.2190  1
  N  N5  4  0.2410  0.0000  0.7529  1
]