data_[Y16Si8N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.2596]
_cell_length_b [10.4071]
_cell_length_c [11.3589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2SiN3]
_chemical_formula_sum '[Y16 Si8 N24]'
_cell_volume [621.0100]
_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
[
  Y  Y0  8  0.2300  0.2002  0.8559  1
  Y  Y1  8  0.2373  0.1123  0.4302  1
  Si  Si2  8  0.2350  0.4994  0.3344  1
  N  N3  8  0.1977  0.3346  0.3627  1
  N  N4  8  0.2294  0.0970  0.0402  1
  N  N5  4  0.0000  0.0009  0.2500  1
  N  N6  4  0.0000  0.4155  0.7500  1
]