# generated using pymatgen
data_Ta3Ti(TcB2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97953006
_cell_length_b   5.97952967
_cell_length_c   3.26290232
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.71880203
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Ti(TcB2)2
_chemical_formula_sum   'Ta3 Ti1 Tc2 B4'
_cell_volume   116.66294105
_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  0.32407501  0.82407501  0.50000000  1.0
  Ta  Ta1  1  0.17664327  0.32250236  0.50000000  1.0
  Ta  Ta2  1  0.82250236  0.67664327  0.50000000  1.0
  Ti  Ti3  1  0.67689018  0.17689018  0.50000000  1.0
  Tc  Tc4  1  0.50137688  0.49723933  0.00000000  1.0
  Tc  Tc5  1  0.99723933  0.00137688  0.00000000  1.0
  B  B6  1  0.11044038  0.61044038  0.00000000  1.0
  B  B7  1  0.88756546  0.38756546  0.00000000  1.0
  B  B8  1  0.61072877  0.89253836  0.00000000  1.0
  B  B9  1  0.39253836  0.11072877  0.00000000  1.0