# generated using pymatgen
data_Zr5Sc(SnIr)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36947479
_cell_length_b   7.37362459
_cell_length_c   7.34437560
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.92649798
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Sc(SnIr)6
_chemical_formula_sum   'Zr5 Sc1 Sn6 Ir6'
_cell_volume   345.87904943
_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
  Zr  Zr0  1  0.59764492  0.61231058  0.75000000  1.0
  Zr  Zr1  1  0.61225579  0.59613496  0.25000000  1.0
  Zr  Zr2  1  0.98412422  0.38813143  0.25000000  1.0
  Zr  Zr3  1  0.01868533  0.40426340  0.75000000  1.0
  Zr  Zr4  1  0.38706779  0.98484205  0.75000000  1.0
  Sc  Sc5  1  0.40156124  0.01251124  0.25000000  1.0
  Sn  Sn6  1  0.27112885  0.26708713  0.49708793  1.0
  Sn  Sn7  1  0.27112885  0.26708713  0.00291207  1.0
  Sn  Sn8  1  0.72681941  0.00070813  0.99828147  1.0
  Sn  Sn9  1  0.00218614  0.73221680  0.49827546  1.0
  Sn  Sn10  1  0.72681941  0.00070813  0.50171853  1.0
  Sn  Sn11  1  0.00218614  0.73221680  0.00172454  1.0
  Ir  Ir12  1  0.67039738  0.33779045  0.53692132  1.0
  Ir  Ir13  1  0.67039738  0.33779045  0.96307868  1.0
  Ir  Ir14  1  0.33225362  0.66301339  0.03052483  1.0
  Ir  Ir15  1  0.33225362  0.66301339  0.46947517  1.0
  Ir  Ir16  1  0.00100243  0.00098254  0.75000000  1.0
  Ir  Ir17  1  0.99208749  0.99918903  0.25000000  1.0