data_[Ru2Se2N2]
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 [Cm]
_cell_length_a [7.3320]
_cell_length_b [3.5145]
_cell_length_c [5.9844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [RuSeN]
_chemical_formula_sum '[Ru2 Se2 N2]'
_cell_volume [137.9963]
_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
[
  Ru  Ru0  2  0.2457  0.0000  0.6349  1
  Se  Se1  2  0.3675  0.5000  0.4457  1
  N  N2  2  0.3731  0.0000  0.9403  1
]