data_[Y8Lu16S12N12]
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 [10.6081]
_cell_length_b [6.1257]
_cell_length_c [12.9312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2Lu4(SN)3]
_chemical_formula_sum '[Y8 Lu16 S12 N12]'
_cell_volume [808.3062]
_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  0.0476  0.4172  0.3953  1
  Lu  Lu1  8  0.1171  0.0847  0.6013  1
  Lu  Lu2  8  0.2168  0.0827  0.8987  1
  S  S3  8  0.1716  0.4122  0.7507  1
  S  S4  4  0.0000  0.0739  0.2500  1
  N  N5  8  0.0867  0.2401  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]