data_[Ru3Br3N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [5.8077]
_cell_length_b [5.8077]
_cell_length_c [18.0019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Ru3Br3N2]
_chemical_formula_sum '[Ru3 Br3 N2]'
_cell_volume [525.8367]
_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
[
  Ru  Ru0  3  0.0000  0.5000  0.4824  1
  Br  Br1  2  0.3333  0.6667  0.5988  1
  Br  Br2  1  0.0000  0.0000  0.4910  1
  N  N3  2  0.3333  0.6667  0.4321  1
]