# generated using pymatgen
data_Tm4ScTi3Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34022574
_cell_length_b   6.80132991
_cell_length_c   8.11464097
_cell_angle_alpha   89.42570528
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm4ScTi3Ir4
_chemical_formula_sum   'Tm4 Sc1 Ti3 Ir4'
_cell_volume   239.52654645
_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
  Tm  Tm0  1  0.25000000  0.48532803  0.18363601  1.0
  Tm  Tm1  1  0.75000000  0.51947251  0.82481977  1.0
  Tm  Tm2  1  0.75000000  0.00765514  0.68093994  1.0
  Tm  Tm3  1  0.25000000  0.98265681  0.31293545  1.0
  Sc  Sc4  1  0.25000000  0.35303901  0.57348478  1.0
  Ti  Ti5  1  0.25000000  0.86020669  0.93213612  1.0
  Ti  Ti6  1  0.75000000  0.13969182  0.06669164  1.0
  Ti  Ti7  1  0.75000000  0.64055013  0.43320180  1.0
  Ir  Ir8  1  0.25000000  0.73775882  0.59485823  1.0
  Ir  Ir9  1  0.75000000  0.27173531  0.38775456  1.0
  Ir  Ir10  1  0.75000000  0.77690746  0.09549620  1.0
  Ir  Ir11  1  0.25000000  0.22499827  0.91404350  1.0