# generated using pymatgen
data_Ti4Si3MoH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.40779227
_cell_length_b   7.40779298
_cell_length_c   5.09102660
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999684
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4Si3MoH
_chemical_formula_sum   'Ti8 Si6 Mo2 H2'
_cell_volume   241.94332488
_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  0.66666700  0.33333300  0.50000000  1.0
  Ti  Ti1  1  0.33333300  0.66666700  0.50000000  1.0
  Ti  Ti2  1  0.24480380  0.00000000  0.24769588  1.0
  Ti  Ti3  1  0.75519620  0.00000000  0.75230412  1.0
  Ti  Ti4  1  1.00000000  0.24480380  0.24769588  1.0
  Ti  Ti5  1  0.00000000  0.75519620  0.75230412  1.0
  Ti  Ti6  1  0.75519620  0.75519620  0.24769588  1.0
  Ti  Ti7  1  0.24480380  0.24480380  0.75230412  1.0
  Si  Si8  1  0.60363470  0.00000000  0.24447983  1.0
  Si  Si9  1  0.39636530  0.00000000  0.75552017  1.0
  Si  Si10  1  0.00000000  0.60363470  0.24447983  1.0
  Si  Si11  1  1.00000000  0.39636530  0.75552017  1.0
  Si  Si12  1  0.39636530  0.39636530  0.24447983  1.0
  Si  Si13  1  0.60363470  0.60363470  0.75552017  1.0
  Mo  Mo14  1  0.33333300  0.66666700  0.00000000  1.0
  Mo  Mo15  1  0.66666700  0.33333300  0.00000000  1.0
  H  H16  1  0.00000000  0.00000000  0.00000000  1.0
  H  H17  1  0.00000000  0.00000000  0.50000000  1.0