data_[La6Pr4Nb2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2268]
_cell_length_b [10.7809]
_cell_length_c [6.2257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Pr2NbN6]
_chemical_formula_sum '[La6 Pr4 Nb2 N12]'
_cell_volume [394.4144]
_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  4  0.0000  0.1638  0.5000  1
  La  La1  2  0.0000  0.5000  0.5000  1
  Pr  Pr2  4  0.0000  0.3328  0.0000  1
  Nb  Nb3  2  0.0000  0.0000  0.0000  1
  N  N4  8  0.2209  0.1464  0.2218  1
  N  N5  4  0.2208  0.0000  0.7688  1
]