# generated using pymatgen
data_ZrSc(ZnIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08901674
_cell_length_b   5.08901634
_cell_length_c   5.24990439
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   131.74749567
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc(ZnIr)2
_chemical_formula_sum   'Zr1 Sc1 Zn2 Ir2'
_cell_volume   101.43977765
_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  0.71378787  0.28621213  0.25000000  1.0
  Sc  Sc1  1  0.28700068  0.71299932  0.75000000  1.0
  Zn  Zn2  1  0.00256600  0.99743400  0.49999494  1.0
  Zn  Zn3  1  0.00256600  0.99743400  0.00000506  1.0
  Ir  Ir4  1  0.40076521  0.59923479  0.25000000  1.0
  Ir  Ir5  1  0.59331423  0.40668577  0.75000000  1.0