[CIF]
data_TaV2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04096681
_cell_length_b   3.04096681
_cell_length_c   5.48048941
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2B
_chemical_formula_sum   'Ta1 V2 B1'
_cell_volume   50.68071149
_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
  B  B0  1  0.00000000  0.00000000  0.00000000  1
  Ta  Ta1  1  0.00000000  0.00000000  2.74024470  1
  V  V2  1  1.52048341  1.52048341  4.42233668  1
  V  V3  1  1.52048341  1.52048341  1.05815273  1
[/CIF]
