data_[Ac4Zn12Ni4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.3907]
_cell_length_b [12.5538]
_cell_length_c [5.5811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [AcZn3NiIr]
_chemical_formula_sum '[Ac4 Zn12 Ni4 Ir4]'
_cell_volume [447.7588]
_cell_formula_units_Z [4]
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  4  0.0000  0.2722  0.7500  1
  Zn  Zn1  8  0.2049  0.5000  0.0000  1
  Zn  Zn2  4  0.0000  0.1436  0.2500  1
  Ni  Ni3  4  0.0000  0.0468  0.7500  1
  Ir  Ir4  4  0.0000  0.3508  0.2500  1
]