data_[Sc6Sn6N6O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3cm]
_cell_length_a [6.0075]
_cell_length_b [6.0075]
_cell_length_c [12.0330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [185]
_chemical_formula_structural [ScSnNO2]
_chemical_formula_sum '[Sc6 Sn6 N6 O12]'
_cell_volume [376.0843]
_cell_formula_units_Z [6]
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  4  0.3333  0.6667  0.2336  1
  Sc  Sc1  2  0.0000  0.0000  0.2669  1
  Sn  Sn2  6  0.0000  0.3335  0.9991  1
  N  N3  4  0.3333  0.6667  0.0367  1
  N  N4  2  0.0000  0.0000  0.4587  1
  O  O5  6  0.0000  0.2956  0.1758  1
  O  O6  6  0.0000  0.3790  0.8275  1
]