data_[Ta4V12W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3242]
_cell_length_b [4.3670]
_cell_length_c [7.6606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaV3W]
_chemical_formula_sum '[Ta4 V12 W4]'
_cell_volume [300.4196]
_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
[
  Ta  Ta0  4  0.1558  0.0000  0.5513  1
  V  V1  4  0.0417  0.5000  0.3406  1
  V  V2  4  0.1515  0.5000  0.0489  1
  V  V3  4  0.2471  0.0000  0.2393  1
  W  W4  4  0.0503  0.0000  0.8534  1
]