data_[In3Ru1N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ru  2.2000  1.3000  0.6610
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1181]
_cell_length_b [4.4725]
_cell_length_c [22.3887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [In3RuN2]
_chemical_formula_sum '[In3 Ru1 N2]'
_cell_volume [312.2300]
_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
[
  In  In0  1  0.0000  0.0000  0.4881  1
  In  In1  1  0.0000  0.5000  0.5941  1
  In  In2  1  0.5000  0.0000  0.6800  1
  Ru  Ru3  1  0.5000  0.5000  0.4873  1
  N  N4  1  0.5000  0.5000  0.3500  1
  N  N5  1  0.5000  0.5000  0.4007  1
]