# generated using pymatgen
data_TiB2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50161449
_cell_length_b   4.50161449
_cell_length_c   3.07636519
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   138.75482453
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiB2Mo
_chemical_formula_sum   'Ti1 B2 Mo1'
_cell_volume   41.10039922
_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
  Ti  Ti0  1  0.85270073  0.14729927  0.00000000  1.0
  B  B1  1  0.44125463  0.55874537  0.50000000  1.0
  B  B2  1  0.56006372  0.43993628  -0.00000000  1.0
  Mo  Mo3  1  0.14598092  0.85401908  0.50000000  1.0