data_[Na1In3N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.8312]
_cell_length_b [3.4388]
_cell_length_c [17.9944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [NaIn3N2]
_chemical_formula_sum '[Na1 In3 N2]'
_cell_volume [360.8218]
_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
[
  Na  Na0  1  0.8219  0.5000  0.4351  1
  In  In1  1  0.0565  0.0000  0.5728  1
  In  In2  1  0.3483  0.0000  0.4064  1
  In  In3  1  0.4883  0.5000  0.5663  1
  N  N4  1  0.2022  0.5000  0.4803  1
  N  N5  1  0.6998  0.0000  0.5390  1
]