# generated using pymatgen
data_TaV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02599077
_cell_length_b   5.02596356
_cell_length_c   5.02594656
_cell_angle_alpha   59.99973744
_cell_angle_beta   59.99988082
_cell_angle_gamma   60.00000325
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2
_chemical_formula_sum   'Ta2 V4'
_cell_volume   89.77236132
_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  1  0.12500622  0.12499828  0.12499485  1.0
  Ta  Ta1  1  0.87499378  0.87500172  0.87500515  1.0
  V  V2  1  0.50000000  0.50000000  -0.00000000  1.0
  V  V3  1  0.50000000  0.00000000  0.50000000  1.0
  V  V4  1  0.50000000  0.50000000  0.50000000  1.0
  V  V5  1  0.00000000  0.50000000  0.50000000  1.0