data_[Ta1V4W3]
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 [Pmmm]
_cell_length_a [3.1077]
_cell_length_b [4.3900]
_cell_length_c [8.7684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [TaV4W3]
_chemical_formula_sum '[Ta1 V4 W3]'
_cell_volume [119.6263]
_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  0.5000  0.5000  0.0000  1
  V  V1  2  0.0000  0.5000  0.2570  1
  V  V2  1  0.0000  0.0000  0.0000  1
  V  V3  1  0.0000  0.0000  0.5000  1
  W  W4  2  0.5000  0.0000  0.2504  1
  W  W5  1  0.5000  0.5000  0.5000  1
]