data_[Ta4Zn1Si1C2]
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
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.1733]
_cell_length_b [3.1733]
_cell_length_c [13.0348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ta4ZnSiC2]
_chemical_formula_sum '[Ta4 Zn1 Si1 C2]'
_cell_volume [113.6752]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.3322  1
  Ta  Ta1  2  0.6667  0.3333  0.1473  1
  Zn  Zn2  1  0.6667  0.3333  0.5000  1
  Si  Si3  1  0.0000  0.0000  0.0000  1
  C  C4  2  0.3333  0.6667  0.2421  1
]