data_[Y8Zr16Sb12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  Sb  2.0500  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4434]
_cell_length_b [6.0257]
_cell_length_c [14.5005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2Zr4(SbN)3]
_chemical_formula_sum '[Y8 Zr16 Sb12 N12]'
_cell_volume [885.5157]
_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  0.0496  0.4187  0.4053  1
  Zr  Zr1  8  0.1114  0.0861  0.5826  1
  Zr  Zr2  8  0.2237  0.0818  0.9174  1
  Sb  Sb3  8  0.1802  0.4045  0.7511  1
  Sb  Sb4  4  0.0000  0.0568  0.2500  1
  N  N5  8  0.0850  0.2451  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]