data_[Sc24Sn8N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.7506]
_cell_length_b [12.4454]
_cell_length_c [5.7201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6464]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc3SnN]
_chemical_formula_sum '[Sc24 Sn8 N8]'
_cell_volume [763.7750]
_cell_formula_units_Z [8]
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  0.1083  0.3289  0.0816  1
  Sc  Sc1  8  0.1129  0.1930  0.5883  1
  Sc  Sc2  8  0.1130  0.0665  0.0951  1
  Sn  Sn3  8  0.1616  0.4267  0.5621  1
  N  N4  4  0.0000  0.0633  0.7500  1
  N  N5  4  0.0000  0.1970  0.2500  1
]