data_[Y24Se12S9N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8577]
_cell_length_b [7.8577]
_cell_length_c [19.7284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y8Se4S3N]
_chemical_formula_sum '[Y24 Se12 S9 N3]'
_cell_volume [1054.8900]
_cell_formula_units_Z [3]
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
[
  Y  Y0  18  0.0271  0.5135  0.2373  1
  Y  Y1  6  0.0000  0.0000  0.2421  1
  Se  Se2  9  0.0000  0.5000  0.0000  1
  Se  Se3  3  -0.0000  -0.0000  0.0000  1
  S  S4  9  0.0000  0.5000  0.5000  1
  N  N5  3  0.0000  0.0000  0.5000  1
]