data_[Ti10V2C10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [9.5952]
_cell_length_b [4.2972]
_cell_length_c [6.0981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti5VC5]
_chemical_formula_sum '[Ti10 V2 C10]'
_cell_volume [238.2639]
_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
[
  Ti  Ti0  4  0.1699  0.5000  0.8456  1.0
  Ti  Ti1  4  0.1769  0.5000  0.3284  1.0
  Ti  Ti2  2  0.0000  0.0000  0.5000  1.0
  V  V3  2  0.0000  0.0000  0.0000  1.0
  C  C4  4  0.1651  0.0000  0.8337  1.0
  C  C5  4  0.1654  0.0000  0.3321  1.0
  C  C6  2  0.0000  0.5000  0.0000  1.0
]