# generated using pymatgen
data_Ti2ReB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94909500
_cell_length_b   5.94909500
_cell_length_c   3.17834700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2ReB2
_chemical_formula_sum   'Ti4 Re2 B4'
_cell_volume   112.48720306
_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
  Ti  Ti0  1  0.81991900  0.68008100  0.50000000  1.0
  Ti  Ti1  1  0.31991900  0.81991900  0.50000000  1.0
  Ti  Ti2  1  0.18008100  0.31991900  0.50000000  1.0
  Ti  Ti3  1  0.68008100  0.18008100  0.50000000  1.0
  Re  Re4  1  0.50000000  0.50000000  0.00000000  1.0
  Re  Re5  1  0.00000000  0.00000000  0.00000000  1.0
  B  B6  1  0.10822200  0.60822200  0.00000000  1.0
  B  B7  1  0.60822200  0.89177800  0.00000000  1.0
  B  B8  1  0.39177800  0.10822200  0.00000000  1.0
  B  B9  1  0.89177800  0.39177800  0.00000000  1.0