# generated using pymatgen
data_Ta3TiB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12404450
_cell_length_b   3.27038450
_cell_length_c   8.66886690
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3TiB4
_chemical_formula_sum   'Ta3 Ti1 B4'
_cell_volume   88.56831089
_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  0.00000000  0.50000000  0.64529078  1.0
  Ta  Ta1  1  0.50000000  0.50000000  0.35089751  1.0
  Ta  Ta2  1  0.50000000  -0.00000000  0.85713762  1.0
  Ti  Ti3  1  -0.00000000  0.00000000  0.14494755  1.0
  B  B4  1  0.00000000  -0.00000000  0.43833328  1.0
  B  B5  1  0.00000000  0.50000000  0.94489572  1.0
  B  B6  1  0.50000000  0.50000000  0.06093162  1.0
  B  B7  1  0.50000000  0.00000000  0.55756591  1.0