data_[Ru1Se1N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.1350]
_cell_length_b [3.1347]
_cell_length_c [6.6779]
_cell_angle_alpha [81.7336]
_cell_angle_beta [78.9372]
_cell_angle_gamma [59.9890]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RuSeN]
_chemical_formula_sum '[Ru1 Se1 N1]'
_cell_volume [55.6832]
_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  1  0.2938  0.9511  0.6227  1
  Se  Se1  1  0.5238  0.2427  0.9278  1
  N  N2  1  0.9947  0.6314  0.5227  1
]