# generated using pymatgen
data_Sc2CuIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56407456
_cell_length_b   4.56578822
_cell_length_c   4.56595914
_cell_angle_alpha   59.97337323
_cell_angle_beta   59.98050410
_cell_angle_gamma   59.98311108
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CuIr
_chemical_formula_sum   'Sc2 Cu1 Ir1'
_cell_volume   67.24788308
_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  0.00002004  0.00000170  0.99999360  1.0
  Sc  Sc1  1  0.49997897  0.50000034  0.50000543  1.0
  Cu  Cu2  1  0.24999819  0.24999752  0.24999818  1.0
  Ir  Ir3  1  0.75000079  0.74999843  0.75000079  1.0