data_[Li2Sm2Nb2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  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 [6.8063]
_cell_length_b [3.2260]
_cell_length_c [6.9039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiSmNbN3]
_chemical_formula_sum '[Li2 Sm2 Nb2 N6]'
_cell_volume [146.9551]
_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
[
  Li  Li0  2  0.0785  0.7500  0.5885  1
  Sm  Sm1  2  0.2069  0.7500  0.2328  1
  Nb  Nb2  2  0.3249  0.2500  0.8175  1
  N  N3  2  0.1335  0.7500  0.8671  1
  N  N4  2  0.2162  0.2500  0.5251  1
  N  N5  2  0.4488  0.2500  0.1659  1
]