data_[In2Ni6N6]
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 [Pmn2_1]
_cell_length_a [3.4758]
_cell_length_b [18.6557]
_cell_length_c [10.6896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [In(NiN)3]
_chemical_formula_sum '[In2 Ni6 N6]'
_cell_volume [693.1603]
_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
[
  In  In0  2  0.0000  0.0037  0.2173  1
  Ni  Ni1  2  0.0000  0.0738  0.5482  1
  Ni  Ni2  2  0.0000  0.9119  0.5563  1
  Ni  Ni3  2  0.0000  0.9899  0.9394  1
  N  N4  2  0.0000  0.0980  0.0806  1
  N  N5  2  0.0000  0.9124  0.0640  1
  N  N6  2  0.0000  0.9792  0.4171  1
]