data_[La6Nb4Se4N10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nb  1.6000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1478]
_cell_length_b [4.1478]
_cell_length_c [24.0441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [La3Nb2Se2N5]
_chemical_formula_sum '[La6 Nb4 Se4 N10]'
_cell_volume [413.6699]
_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  0.0000  0.1605  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  Nb  Nb2  4  0.0000  0.0000  0.4180  1.0
  Se  Se3  4  0.0000  0.0000  0.2969  1.0
  N  N4  8  0.0000  0.5000  0.0903  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]