data_[Ce3Dy1B2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Dy  1.2200  1.7500  1.1310
  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 [5.5970]
_cell_length_b [5.5970]
_cell_length_c [6.3209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ce3Dy(BN3)2]
_chemical_formula_sum '[Ce3 Dy1 B2 N6]'
_cell_volume [171.4842]
_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  0.6662  1
  Ce  Ce1  1  0.0000  0.0000  0.0000  1
  Dy  Dy2  1  0.0000  0.0000  0.5000  1
  B  B3  2  0.3333  0.6667  0.2432  1
  N  N4  6  0.1836  0.3672  0.2679  1
]