# generated using pymatgen
data_MgScNi3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00446113
_cell_length_b   5.00446182
_cell_length_c   5.00445998
_cell_angle_alpha   57.47083147
_cell_angle_beta   57.47082572
_cell_angle_gamma   57.47083237
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScNi3Ir
_chemical_formula_sum   'Mg1 Sc1 Ni3 Ir1'
_cell_volume   83.46907517
_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  0.00163670  0.00163670  0.00163670  1.0
  Sc  Sc1  1  0.24921311  0.24921311  0.24921311  1.0
  Ni  Ni2  1  0.62494935  0.62494935  0.12373039  1.0
  Ni  Ni3  1  0.62494935  0.12373039  0.62494935  1.0
  Ni  Ni4  1  0.12373039  0.62494935  0.62494935  1.0
  Ir  Ir5  1  0.62552209  0.62552209  0.62552209  1.0