# generated using pymatgen
data_Ti2(SiMo)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29158646
_cell_length_b   7.29158625
_cell_length_c   7.29158540
_cell_angle_alpha   96.56942864
_cell_angle_beta   96.56943348
_cell_angle_gamma   140.46048652
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2(SiMo)3
_chemical_formula_sum   'Ti4 Si6 Mo6'
_cell_volume   232.25050433
_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  0.72466802  0.57676775  0.30143377  1.0
  Ti  Ti1  1  0.27533198  0.42323225  0.69856623  1.0
  Ti  Ti2  1  0.57676775  0.27533198  0.85209974  1.0
  Ti  Ti3  1  0.42323225  0.72466802  0.14790026  1.0
  Si  Si4  1  0.16505193  0.66687437  0.83192530  1.0
  Si  Si5  1  0.33312563  0.16505193  0.49817756  1.0
  Si  Si6  1  0.66687437  0.83494807  0.50182244  1.0
  Si  Si7  1  0.83494807  0.33312563  0.16807470  1.0
  Si  Si8  1  0.75356506  0.75356506  1.00000000  1.0
  Si  Si9  1  0.24643494  0.24643494  0.00000000  1.0
  Mo  Mo10  1  0.07531713  0.22075176  0.29606688  1.0
  Mo  Mo11  1  0.77924824  0.07531713  0.85456537  1.0
  Mo  Mo12  1  0.22075176  0.92468287  0.14543463  1.0
  Mo  Mo13  1  0.92468287  0.77924824  0.70393312  1.0
  Mo  Mo14  1  0.75000000  0.25000000  0.50000000  1.0
  Mo  Mo15  1  0.25000000  0.75000000  0.50000000  1.0