data_[Ti4V10Mo8]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5723]
_cell_length_b [3.1041]
_cell_length_c [7.0515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2V5Mo4]
_chemical_formula_sum '[Ti4 V10 Mo8]'
_cell_volume [326.2225]
_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  0.0907  0.5000  0.4574  1
  V  V1  4  0.1818  0.5000  0.9112  1
  V  V2  4  0.2338  0.0000  0.6451  1
  V  V3  2  0.0000  0.5000  0.0000  1
  Mo  Mo4  4  0.0515  0.0000  0.7392  1
  Mo  Mo5  4  0.1396  0.0000  0.1852  1
]