data_[Yb2Ru1N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Ru  2.2000  1.3000  0.6610
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.2687]
_cell_length_b [19.4192]
_cell_length_c [3.4171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Yb2RuN3]
_chemical_formula_sum '[Yb2 Ru1 N3]'
_cell_volume [216.9070]
_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
[
  Yb  Yb0  2  0.5000  0.1138  0.4165  1
  Ru  Ru1  1  0.0000  0.0000  0.9928  1
  N  N2  2  0.0000  0.1041  0.9205  1
  N  N3  1  0.5000  0.0000  0.3419  1
]