data_[Ba4Li4Tc4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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/c]
_cell_length_a [5.7563]
_cell_length_b [11.5349]
_cell_length_c [5.3239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaLiTcN3]
_chemical_formula_sum '[Ba4 Li4 Tc4 N12]'
_cell_volume [348.5864]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.0000  0.2667  0.7500  1
  Li  Li1  4  0.0000  0.4597  0.2500  1
  Tc  Tc2  4  0.0000  0.0409  0.2500  1
  N  N3  8  0.2359  0.9564  0.4723  1
  N  N4  4  0.0000  0.1990  0.2500  1
]