data_[La4Tc4N12]
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 [I-4m2]
_cell_length_a [3.4895]
_cell_length_b [3.4895]
_cell_length_c [22.9298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [LaTcN3]
_chemical_formula_sum '[La4 Tc4 N12]'
_cell_volume [279.1999]
_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
[
  La  La0  2  0.0000  0.0000  0.0000  1
  La  La1  2  0.0000  0.5000  0.2500  1
  Tc  Tc2  4  0.0000  0.5000  0.6313  1
  N  N3  8  0.0000  0.3157  0.1008  1
  N  N4  4  0.0000  0.0000  0.3209  1
]