data_[La2Th2Nb2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Th  1.3000  1.8000  1.0800
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6150]
_cell_length_b [3.6067]
_cell_length_c [8.0697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaThNbN3]
_chemical_formula_sum '[La2 Th2 Nb2 N6]'
_cell_volume [221.2504]
_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  0.1490  0.7500  0.1540  1
  Th  Th1  2  0.3814  0.2500  0.8312  1
  Nb  Nb2  2  0.1097  0.7500  0.5890  1
  N  N3  2  0.1325  0.7500  0.8433  1
  N  N4  2  0.1687  0.2500  0.4805  1
  N  N5  2  0.3986  0.2500  0.1154  1
]