data_[In4N1F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.0185]
_cell_length_b [7.2803]
_cell_length_c [17.1473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In4NF]
_chemical_formula_sum '[In4 N1 F1]'
_cell_volume [751.3359]
_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  0.0456  0.2202  0.4937  1
  In  In1  1  0.5850  0.0000  0.5569  1
  In  In2  1  0.6750  0.5000  0.5172  1
  N  N3  1  0.2651  0.0000  0.5067  1
  F  F4  1  0.8275  0.0000  0.4317  1
]