data_[Ce4Nd6Sm2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2591]
_cell_length_b [10.8363]
_cell_length_c [6.2629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4832]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Nd3SmN6]
_chemical_formula_sum '[Ce4 Nd6 Sm2 N12]'
_cell_volume [400.4560]
_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
[
  Ce  Ce0  4  0.0000  0.3332  0.0000  1.0
  Nd  Nd1  4  0.0000  0.1664  0.5000  1.0
  Nd  Nd2  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm3  2  0.0000  0.0000  0.0000  1.0
  N  N4  8  0.2494  0.1705  0.2368  1.0
  N  N5  4  0.2379  0.5000  0.2369  1.0
]