data_[Sm2Sc2Ti2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8414]
_cell_length_b [3.2966]
_cell_length_c [7.9341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmScTiN3]
_chemical_formula_sum '[Sm2 Sc2 Ti2 N6]'
_cell_volume [177.8799]
_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
[
  Sm  Sm0  2  0.1661  0.7500  0.1916  1
  Sc  Sc1  2  0.3648  0.2500  0.8767  1
  Ti  Ti2  2  0.1293  0.7500  0.5897  1
  N  N3  2  0.1337  0.7500  0.8401  1
  N  N4  2  0.1752  0.2500  0.4626  1
  N  N5  2  0.4144  0.2500  0.1357  1
]