# generated using pymatgen
data_MgSc(NiIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99600449
_cell_length_b   4.99600528
_cell_length_c   4.99600523
_cell_angle_alpha   117.07819207
_cell_angle_beta   122.53156604
_cell_angle_gamma   90.40278442
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc(NiIr)2
_chemical_formula_sum   'Mg1 Sc1 Ni2 Ir2'
_cell_volume   88.18599670
_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
  Mg  Mg0  1  0.24722910  0.74722910  0.50000000  1.0
  Sc  Sc1  1  0.00011944  0.00011944  0.00000000  1.0
  Ni  Ni2  1  0.12624938  0.37673720  0.74951418  1.0
  Ni  Ni3  1  0.62722202  0.37673720  0.25048582  1.0
  Ir  Ir4  1  0.62459003  0.87394801  0.24935898  1.0
  Ir  Ir5  1  0.62459003  0.37523105  0.75064102  1.0