data_[Ac4Ni1Ir1Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5641]
_cell_length_b [4.3752]
_cell_length_c [7.8703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac4NiIrAu2]
_chemical_formula_sum '[Ac4 Ni1 Ir1 Au2]'
_cell_volume [246.6545]
_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
[
  Ac  Ac0  2  0.2384  0.5000  0.2233  1
  Ac  Ac1  2  0.2562  0.0000  0.7770  1
  Ni  Ni2  1  0.5000  0.5000  0.0000  1
  Ir  Ir3  1  0.0000  0.0000  0.0000  1
  Au  Au4  1  0.0000  0.5000  0.5000  1
  Au  Au5  1  0.5000  0.0000  0.5000  1
]