data_[Ta4V4C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3517]
_cell_length_b [3.0781]
_cell_length_c [5.2275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2V2C3]
_chemical_formula_sum '[Ta4 V4 C6]'
_cell_volume [160.2941]
_cell_formula_units_Z [2]
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  4  0.1174  0.5000  0.8592  1.0
  V  V1  4  0.1461  0.0000  0.3531  1.0
  C  C2  4  0.2477  0.0000  0.7472  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]