data_[In4N4F4]
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 [C2/m]
_cell_length_a [5.8653]
_cell_length_b [4.9652]
_cell_length_c [10.5432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2350]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InNF]
_chemical_formula_sum '[In4 N4 F4]'
_cell_volume [301.1605]
_cell_formula_units_Z [4]
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  0.1349  0.0000  0.3471  1.0
  N  N1  4  0.0000  0.3878  0.0000  1.0
  F  F2  4  0.2345  0.0000  0.5734  1.0
]