data_[Y16Lu8S12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Lu  1.2700  1.7500  1.0010
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.7162]
_cell_length_b [6.1887]
_cell_length_c [13.0696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4Lu2(SN)3]
_chemical_formula_sum '[Y16 Lu8 S12 N12]'
_cell_volume [833.7780]
_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
[
  Y  Y0  8  0.1181  0.0822  0.1039  1
  Y  Y1  8  0.2147  0.0842  0.3961  1
  Lu  Lu2  8  0.0504  0.4162  0.8998  1
  S  S3  8  0.1619  0.4215  0.2493  1
  S  S4  4  0.0000  0.0925  0.7500  1
  N  N5  8  0.0799  0.2599  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]