data_[In3Ni2N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.5511]
_cell_length_b [21.1394]
_cell_length_c [4.0889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [In3Ni2N3]
_chemical_formula_sum '[In3 Ni2 N3]'
_cell_volume [306.9441]
_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  2  0.5000  0.4005  0.6426  1
  In  In1  1  0.0000  0.5000  0.1290  1
  Ni  Ni2  2  0.0000  0.3660  0.1701  1
  N  N3  2  0.5000  0.3548  0.1413  1
  N  N4  1  0.5000  0.5000  0.7973  1
]