# generated using pymatgen
data_Ta5TiB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14923648
_cell_length_b   6.14923648
_cell_length_c   3.28126001
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5TiB4
_chemical_formula_sum   'Ta5 Ti1 B4'
_cell_volume   124.07464335
_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  0.50000000  0.50000000  0.00000000  1.0
  Ta  Ta1  1  0.32101451  0.82319307  0.50000000  1.0
  Ta  Ta2  1  0.82319307  0.67898549  0.50000000  1.0
  Ta  Ta3  1  0.17680693  0.32101451  0.50000000  1.0
  Ta  Ta4  1  0.67898549  0.17680693  0.50000000  1.0
  Ti  Ti5  1  0.00000000  0.00000000  0.00000000  1.0
  B  B6  1  0.10667194  0.60786562  0.00000000  1.0
  B  B7  1  0.60786562  0.89332806  0.00000000  1.0
  B  B8  1  0.39213438  0.10667194  0.00000000  1.0
  B  B9  1  0.89332806  0.39213438  0.00000000  1.0