# generated using pymatgen
data_ScZnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.73648470
_cell_length_b   10.73648470
_cell_length_c   10.73648470
_cell_angle_alpha   127.71952637
_cell_angle_beta   117.53007450
_cell_angle_gamma   85.75561300
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZnIr2
_chemical_formula_sum   'Sc1 Zn1 Ir2'
_cell_volume   828.78136324
_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
  Sc  Sc0  1  0.00000000  0.00000000  0.00000000  1.0
  Zn  Zn1  1  0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir2  1  0.00000000  0.23805400  0.23805400  1.0
  Ir  Ir3  1  0.00000000  0.76194600  0.76194600  1.0