data_[Ta2Ti1V1C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.3354]
_cell_length_b [3.1019]
_cell_length_c [5.3804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ta2TiVC4]
_chemical_formula_sum '[Ta2 Ti1 V1 C4]'
_cell_volume [83.8313]
_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  1  0.5000  0.0000  0.5000  1.0
  Ta  Ta1  1  0.5000  0.5000  0.0000  1.0
  Ti  Ti2  1  0.0000  0.5000  0.5000  1.0
  V  V3  1  0.0000  0.0000  0.0000  1.0
  C  C4  2  0.2408  0.5000  0.2443  1.0
  C  C5  2  0.2431  0.0000  0.7497  1.0
]