data_[Ta16Cr8Fe12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0163]
_cell_length_b [5.1910]
_cell_length_c [14.0869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta4Cr2(FeC)3]
_chemical_formula_sum '[Ta16 Cr8 Fe12 C12]'
_cell_volume [643.0908]
_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  0.1152  0.0835  0.5925  1
  Ta  Ta1  8  0.2179  0.0830  0.9075  1
  Cr  Cr2  8  0.0553  0.4173  0.4228  1
  Fe  Fe3  8  0.2197  0.3637  0.7490  1
  Fe  Fe4  4  0.0000  0.0253  0.7500  1
  C  C5  8  0.0811  0.2567  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]