data_[Sc16In4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.2335]
_cell_length_b [5.5133]
_cell_length_c [6.2997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc4InN]
_chemical_formula_sum '[Sc16 In4 N4]'
_cell_volume [477.0506]
_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
[
  Sc  Sc0  8  0.1074  0.4271  0.9409  1
  Sc  Sc1  8  0.1988  0.0573  0.6748  1
  In  In2  4  0.0000  0.0793  0.2500  1
  N  N3  4  0.2500  0.2500  0.0000  1
]