data_[Ta8Zn12Cr16C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7853]
_cell_length_b [5.0818]
_cell_length_c [13.0622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta2Zn3Cr4C3]
_chemical_formula_sum '[Ta8 Zn12 Cr16 C12]'
_cell_volume [567.7812]
_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
[
  Ta  Ta0  8  0.0471  0.4162  0.3917  1
  Zn  Zn1  8  0.2407  0.3443  0.7496  1
  Zn  Zn2  4  0.0000  0.0667  0.7500  1
  Cr  Cr3  8  0.1088  0.0856  0.5764  1
  Cr  Cr4  8  0.2256  0.0833  0.9235  1
  C  C5  8  0.0827  0.2513  0.9998  1
  C  C6  4  0.2500  0.2500  0.5000  1
]