data_[Ta6C3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [5.4338]
_cell_length_b [5.4338]
_cell_length_c [4.9231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [Ta2C]
_chemical_formula_sum '[Ta6 C3]'
_cell_volume [125.8846]
_cell_formula_units_Z [3]
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  6  0.0000  0.3376  0.2469  1.0
  C  C1  2  0.3333  0.6667  0.5000  1.0
  C  C2  1  0.0000  0.0000  0.0000  1.0
]