data_[Ti8V6]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0597]
_cell_length_b [4.2319]
_cell_length_c [7.7925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti4V3]
_chemical_formula_sum '[Ti8 V6]'
_cell_volume [212.5592]
_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  2  0.0159  0.7500  0.2570  1
  Ti  Ti1  2  0.1806  0.7500  0.9641  1
  Ti  Ti2  2  0.2728  0.2500  0.1969  1
  Ti  Ti3  2  0.2956  0.7500  0.6720  1
  V  V4  2  0.1202  0.2500  0.4701  1
  V  V5  2  0.4168  0.2500  0.9090  1
  V  V6  2  0.4557  0.7500  0.4095  1
]