data_[Ti10V4Mo8]
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 [18.7363]
_cell_length_b [2.8588]
_cell_length_c [6.9741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7499]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti5(VMo2)2]
_chemical_formula_sum '[Ti10 V4 Mo8]'
_cell_volume [373.3820]
_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  0.0911  0.0000  0.7354  1
  Ti  Ti1  4  0.1828  0.0000  0.0560  1
  Ti  Ti2  2  0.0000  0.5000  0.0000  1
  V  V3  4  0.2282  0.0000  0.6920  1
  Mo  Mo4  4  0.0405  0.0000  0.3396  1
  Mo  Mo5  4  0.1551  0.5000  0.4086  1
]