data_[V16Tc4Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Tc  1.9000  1.3500  0.7417
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4829]
_cell_length_b [4.2440]
_cell_length_c [6.6175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1382]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V8Tc2Mo]
_chemical_formula_sum '[V16 Tc4 Mo2]'
_cell_volume [303.1834]
_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
[
  V  V0  4  0.0492  0.0000  0.7256  1
  V  V1  4  0.0911  0.5000  0.4555  1
  V  V2  4  0.1365  0.0000  0.1834  1
  V  V3  4  0.1816  0.5000  0.9138  1
  Tc  Tc4  4  0.2245  0.0000  0.6354  1
  Mo  Mo5  2  0.0000  0.5000  0.0000  1
]