data_[Ce3Sm1B2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  B  2.0400  0.8500  0.4100
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.6428]
_cell_length_b [5.6428]
_cell_length_c [6.3692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ce3Sm(BN3)2]
_chemical_formula_sum '[Ce3 Sm1 B2 N6]'
_cell_volume [175.6313]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.6705  1
  Ce  Ce1  1  0.0000  0.0000  0.0000  1
  Sm  Sm2  1  0.0000  0.0000  0.5000  1
  B  B3  2  0.3333  0.6667  0.2395  1
  N  N4  6  0.1848  0.3695  0.2608  1
]