# generated using pymatgen
data_Ti5Mn3(SiW)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24857346
_cell_length_b   7.24857421
_cell_length_c   13.58517676
_cell_angle_alpha   90.20968139
_cell_angle_beta   89.79031985
_cell_angle_gamma   141.08178026
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5Mn3(SiW)12
_chemical_formula_sum   'Ti5 Mn3 Si12 W12'
_cell_volume   448.40696456
_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  0.42482809  0.06985958  0.40175880  1.0
  Ti  Ti1  1  0.92889245  0.57226857  0.90280086  1.0
  Ti  Ti2  1  0.06985958  0.42482809  0.59824120  1.0
  Ti  Ti3  1  0.57226857  0.92889245  0.09719914  1.0
  Ti  Ti4  1  0.99814109  0.99814109  0.50000000  1.0
  Mn  Mn5  1  0.50050813  0.50050813  0.00000000  1.0
  Mn  Mn6  1  0.49590730  0.49590730  0.50000000  1.0
  Mn  Mn7  1  0.00197184  0.00197184  1.00000000  1.0
  Si  Si8  1  0.25030096  0.74999845  0.75012483  1.0
  Si  Si9  1  0.74999845  0.25030096  0.24987517  1.0
  Si  Si10  1  0.74906082  0.24999420  0.75006798  1.0
  Si  Si11  1  0.24999420  0.74906082  0.24993202  1.0
  Si  Si12  1  0.25921747  0.26248435  0.66437557  1.0
  Si  Si13  1  0.75017743  0.75250612  0.15953473  1.0
  Si  Si14  1  0.26248435  0.25921747  0.33562443  1.0
  Si  Si15  1  0.75250612  0.75017743  0.84046527  1.0
  Si  Si16  1  0.57699602  0.90210960  0.50096377  1.0
  Si  Si17  1  0.09225114  0.41052131  0.00112152  1.0
  Si  Si18  1  0.90210960  0.57699602  0.49903623  1.0
  Si  Si19  1  0.41052131  0.09225114  0.99887848  1.0
  W  W20  1  0.07181000  0.42396067  0.39805908  1.0
  W  W21  1  0.57292099  0.92863547  0.89832209  1.0
  W  W22  1  0.42396067  0.07181000  0.60194092  1.0
  W  W23  1  0.92863547  0.57292099  0.10167791  1.0
  W  W24  1  0.85107699  0.65094889  0.67955296  1.0
  W  W25  1  0.35063766  0.14794186  0.17724758  1.0
  W  W26  1  0.65094889  0.85107699  0.32044704  1.0
  W  W27  1  0.14794186  0.35063766  0.82275242  1.0
  W  W28  1  0.65340550  0.85143322  0.67765746  1.0
  W  W29  1  0.14982012  0.34941171  0.17704736  1.0
  W  W30  1  0.85143322  0.65340550  0.32234254  1.0
  W  W31  1  0.34941171  0.14982012  0.82295264  1.0