data_[La2Sc2Ta2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sc  1.3600  1.6000  0.8850
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8295]
_cell_length_b [3.3646]
_cell_length_c [8.4935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9825]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaScTaN3]
_chemical_formula_sum '[La2 Sc2 Ta2 N6]'
_cell_volume [161.6526]
_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  0.3494  0.7500  0.3081  1
  Sc  Sc1  2  0.2280  0.2500  0.9587  1
  Ta  Ta2  2  0.1339  0.7500  0.6482  1
  N  N3  2  0.0321  0.2500  0.1564  1
  N  N4  2  0.2277  0.2500  0.5210  1
  N  N5  2  0.4339  0.7500  0.8352  1
]