data_[V12Tc12W4]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.2263]
_cell_length_b [8.6614]
_cell_length_c [5.9627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [V3Tc3W]
_chemical_formula_sum '[V12 Tc12 W4]'
_cell_volume [424.8476]
_cell_formula_units_Z [4]
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  0.0000  0.2350  0.5000  1
  V  V1  4  0.0000  0.2604  0.0000  1
  V  V2  4  0.2480  0.5000  0.0000  1
  Tc  Tc3  8  0.2500  0.2500  0.2463  1
  Tc  Tc4  4  0.0000  0.0000  0.2487  1
  W  W5  4  0.1921  0.5000  0.5000  1
]