data_[Ta3V8W1]
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 [P3m1]
_cell_length_a [5.0552]
_cell_length_b [5.0552]
_cell_length_c [8.0890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ta3V8W]
_chemical_formula_sum '[Ta3 V8 W1]'
_cell_volume [179.0205]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0640  1.0
  Ta  Ta1  1  0.6667  0.3333  0.5603  1.0
  Ta  Ta2  1  0.6667  0.3333  0.9385  1.0
  V  V3  3  0.1637  0.3274  0.7475  1.0
  V  V4  3  0.5026  0.0053  0.2520  1.0
  V  V5  1  0.3333  0.6667  0.0003  1.0
  V  V6  1  0.3333  0.6667  0.4995  1.0
  W  W7  1  0.0000  0.0000  0.4388  1.0
]