data_[In6Ag2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [19.7669]
_cell_length_b [3.1082]
_cell_length_c [17.5149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [In3AgN3]
_chemical_formula_sum '[In6 Ag2 N6]'
_cell_volume [1076.0909]
_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  4  0.1206  0.0000  0.0143  1
  In  In1  2  0.0000  0.0000  0.2156  1
  Ag  Ag2  2  0.0000  0.0000  0.5778  1
  N  N3  4  0.0601  0.0000  0.8953  1
  N  N4  2  0.0000  0.0000  0.8968  1
]