# generated using pymatgen
data_Ti3Si4MoIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84392855
_cell_length_b   6.26317074
_cell_length_c   7.18427803
_cell_angle_alpha   89.71604047
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Si4MoIr4
_chemical_formula_sum   'Ti3 Si4 Mo1 Ir4'
_cell_volume   172.96066837
_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  0.25000000  0.52467794  0.68703513  1.0
  Ti  Ti1  1  0.75000000  0.97747677  0.17444652  1.0
  Ti  Ti2  1  0.75000000  0.47383191  0.31449620  1.0
  Si  Si3  1  0.25000000  0.77164270  0.37678383  1.0
  Si  Si4  1  0.25000000  0.26292055  0.11600764  1.0
  Si  Si5  1  0.75000000  0.21866849  0.62948205  1.0
  Si  Si6  1  0.75000000  0.73984865  0.87693815  1.0
  Mo  Mo7  1  0.25000000  0.02282366  0.82738182  1.0
  Ir  Ir8  1  0.25000000  0.15792366  0.44060516  1.0
  Ir  Ir9  1  0.25000000  0.64980699  0.06764014  1.0
  Ir  Ir10  1  0.75000000  0.84205722  0.55625998  1.0
  Ir  Ir11  1  0.75000000  0.35832246  0.93292439  1.0