# generated using pymatgen
data_TiB2Mo4P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97833281
_cell_length_b   5.97833361
_cell_length_c   6.93377630
_cell_angle_alpha   115.53753429
_cell_angle_beta   115.53753321
_cell_angle_gamma   90.00000046
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiB2Mo4P
_chemical_formula_sum   'Ti2 B4 Mo8 P2'
_cell_volume   196.43286960
_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  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.00000000  1.0
  B  B2  1  0.38172119  0.88172119  0.00000000  1.0
  B  B3  1  0.61827881  0.11827881  1.00000000  1.0
  B  B4  1  0.11827881  0.38172119  1.00000000  1.0
  B  B5  1  0.88172119  0.61827881  0.00000000  1.0
  Mo  Mo6  1  0.02590625  0.52590625  0.72016367  1.0
  Mo  Mo7  1  0.69425743  0.19425743  0.72016367  1.0
  Mo  Mo8  1  0.19425743  0.02590625  0.72016367  1.0
  Mo  Mo9  1  0.52590625  0.69425743  0.72016367  1.0
  Mo  Mo10  1  0.97409375  0.47409375  0.27983633  1.0
  Mo  Mo11  1  0.30574257  0.80574257  0.27983633  1.0
  Mo  Mo12  1  0.80574257  0.97409375  0.27983633  1.0
  Mo  Mo13  1  0.47409375  0.30574257  0.27983633  1.0
  P  P14  1  0.25000000  0.25000000  0.50000000  1.0
  P  P15  1  0.75000000  0.75000000  0.50000000  1.0