# generated using pymatgen
data_Ta3Ti(ReB2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99134957
_cell_length_b   5.99134957
_cell_length_c   3.27345235
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.71074667
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Ti(ReB2)2
_chemical_formula_sum   'Ta3 Ti1 Re2 B4'
_cell_volume   117.50323088
_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  0.82341799  0.67560969  0.50000000  1.0
  Ta  Ta1  1  0.32502502  0.82502502  0.50000000  1.0
  Ta  Ta2  1  0.17560969  0.32341799  0.50000000  1.0
  Ti  Ti3  1  0.67591591  0.17591591  0.50000000  1.0
  Re  Re4  1  0.50130750  0.49719248  0.00000000  1.0
  Re  Re5  1  0.99719248  0.00130750  0.00000000  1.0
  B  B6  1  0.11170005  0.61170005  0.00000000  1.0
  B  B7  1  0.61233624  0.89182229  0.00000000  1.0
  B  B8  1  0.39182229  0.11233624  0.00000000  1.0
  B  B9  1  0.88567384  0.38567384  0.00000000  1.0