data_[Zr8Cr16Sn12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cr  1.6600  1.4000  0.9400
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5866]
_cell_length_b [5.5272]
_cell_length_c [13.3038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2Cr4(SnN)3]
_chemical_formula_sum '[Zr8 Cr16 Sn12 N12]'
_cell_volume [685.6865]
_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  0.0568  0.4139  0.9077  1
  Cr  Cr1  8  0.1062  0.0744  0.0700  1
  Cr  Cr2  8  0.2228  0.0880  0.4298  1
  Sn  Sn3  8  0.1905  0.3904  0.2475  1
  Sn  Sn4  4  0.0000  0.0341  0.7500  1
  N  N5  8  0.0860  0.2414  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]