data_[Ta2B4W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  B  2.0400  0.8500  0.4100
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.1342]
_cell_length_b [4.6185]
_cell_length_c [6.0581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [TaB2W]
_chemical_formula_sum '[Ta2 B4 W2]'
_cell_volume [87.6908]
_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
[
  Ta  Ta0  2  0.5000  0.3708  0.3253  1
  B  B1  2  0.0000  0.3462  0.0326  1
  B  B2  2  0.5000  0.1437  0.9657  1
  W  W3  2  0.0000  0.1327  0.6764  1
]