data_[La4Sm4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [5.1464]
_cell_length_b [5.1464]
_cell_length_c [10.8114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [LaSmN]
_chemical_formula_sum '[La4 Sm4 N4]'
_cell_volume [286.3505]
_cell_formula_units_Z [4]
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  0.7341  1
  Sm  Sm1  4  0.0000  0.0000  0.2673  1
  N  N2  4  0.0000  0.0000  0.4987  1
]