data_[Ac4Ga12Ni4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.2124]
_cell_length_b [11.9155]
_cell_length_c [6.6597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [AcGa3NiIr]
_chemical_formula_sum '[Ac4 Ga12 Ni4 Ir4]'
_cell_volume [492.9746]
_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  0.2506  0.2500  1
  Ga  Ga1  8  0.2198  0.5000  0.0000  1
  Ga  Ga2  4  0.0000  0.1880  0.7500  1
  Ni  Ni3  4  0.0000  0.0002  0.7500  1
  Ir  Ir4  4  0.0000  0.3854  0.7500  1
]