data_[La2Ce2Br2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.7812]
_cell_length_b [3.7812]
_cell_length_c [14.9885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [LaCeBrN]
_chemical_formula_sum '[La2 Ce2 Br2 N2]'
_cell_volume [185.5865]
_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
[
  La  La0  2  0.3333  0.6667  0.9105  1
  Ce  Ce1  2  0.3333  0.6667  0.5923  1
  Br  Br2  2  0.3333  0.6667  0.2497  1
  N  N3  2  0.0000  0.0000  0.4975  1
]