data_[Ti2V8W4]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3276]
_cell_length_b [6.8975]
_cell_length_c [6.8994]
_cell_angle_alpha [113.5920]
_cell_angle_beta [104.9549]
_cell_angle_gamma [104.8248]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ti(V2W)2]
_chemical_formula_sum '[Ti2 V8 W4]'
_cell_volume [205.1767]
_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  1  0.0506  0.0275  0.0474  1
  Ti  Ti1  1  0.1971  0.6140  0.9109  1
  V  V2  1  0.1260  0.3227  0.4821  1
  V  V3  1  0.2724  0.8945  0.3492  1
  V  V4  1  0.4169  0.4673  0.2019  1
  V  V5  1  0.4863  0.7524  0.6344  1
  V  V6  1  0.5596  0.0398  0.0548  1
  V  V7  1  0.6893  0.6024  0.9066  1
  V  V8  1  0.8319  0.1749  0.7630  1
  V  V9  1  0.9782  0.7478  0.6163  1
  W  W10  1  0.3362  0.1795  0.7706  1
  W  W11  1  0.6243  0.3232  0.4823  1
  W  W12  1  0.7646  0.8908  0.3352  1
  W  W13  1  0.9168  0.4632  0.1951  1
]