data_[Zr8Sc16Si12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  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 [9.7066]
_cell_length_b [5.6169]
_cell_length_c [13.8601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4755]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2Sc4(SiN)3]
_chemical_formula_sum '[Zr8 Sc16 Si12 N12]'
_cell_volume [734.8680]
_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
[
  Zr  Zr0  8  0.0520  0.4109  0.9064  1
  Sc  Sc1  8  0.1157  0.0782  0.0911  1
  Sc  Sc2  8  0.2214  0.0815  0.4090  1
  Si  Si3  8  0.1414  0.3802  0.2499  1
  Si  Si4  4  0.0000  0.0369  0.7500  1
  N  N5  8  0.0843  0.2490  0.5003  1
  N  N6  4  0.2500  0.2500  0.0000  1
]