data_MgIr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   3.94
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIr2Au
_chemical_formula_sum   'Mg1 Ir2 Au1'
_cell_volume   64.08
_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  Mg3  1  0.0  0.0  0.87  1.0
  Ir  Ir1  1  0.0  0.0  0.2  1.0
  Ir  Ir2  1  0.42  0.97  0.28  1.0
  Au  Au0  1  0.42  0.97  0.21  1.0

data_MgIr2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.94
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIr2Au
_chemical_formula_sum   'Mg1 Ir2 Au1'
_cell_volume   64.08
_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  0.0  0.0  0.87  1.0
  Ir  Ir1  1  0.0  0.0  0.2  1.0
  Ir  Ir2  1  0.42  0.97  0.28  1.0
  Au  Au3  1  0.42  0.97  0.21  1.0

Mg Ir Ir Au