data_[Zr8Cr16Si12C12]
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
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8800]
_cell_length_b [5.1436]
_cell_length_c [12.7756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2Cr4(SiC)3]
_chemical_formula_sum '[Zr8 Cr16 Si12 C12]'
_cell_volume [567.3149]
_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  0.0426  0.5825  0.8809  1
  Cr  Cr1  8  0.1095  0.0892  0.5802  1
  Cr  Cr2  8  0.2268  0.0822  0.9198  1
  Si  Si3  8  0.2418  0.3439  0.7492  1
  Si  Si4  4  0.0000  0.0706  0.7500  1
  C  C5  8  0.0858  0.2422  0.9999  1
  C  C6  4  0.2500  0.2500  0.5000  1
]