data_[La2Tc2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9682]
_cell_length_b [5.4788]
_cell_length_c [5.5419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaTcN3]
_chemical_formula_sum '[La2 Tc2 N6]'
_cell_volume [144.0396]
_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
[
  La  La0  2  0.2915  0.7500  0.1287  1
  Tc  Tc1  2  0.0868  0.2500  0.4507  1
  N  N2  4  0.1237  0.0180  0.7598  1
  N  N3  2  0.4103  0.2500  0.3928  1
]