data_[Ac14Ni2Au8]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.4493]
_cell_length_b [4.2989]
_cell_length_c [14.3219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ac7NiAu4]
_chemical_formula_sum '[Ac14 Ni2 Au8]'
_cell_volume [841.5146]
_cell_formula_units_Z [2]
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  0.0097  0.5000  0.5266  1
  Ac  Ac1  2  0.0298  0.0000  0.7862  1
  Ac  Ac2  2  0.1590  0.5000  0.0707  1
  Ac  Ac3  2  0.2496  0.5000  0.3688  1
  Ac  Ac4  2  0.2823  0.0000  0.6368  1
  Ac  Ac5  2  0.3205  0.0000  0.9266  1
  Ac  Ac6  2  0.4633  0.5000  0.2085  1
  Ni  Ni7  2  0.3941  0.5000  0.5762  1
  Au  Au8  2  0.1135  0.0000  0.4267  1
  Au  Au9  2  0.1875  0.5000  0.7611  1
  Au  Au10  2  0.3016  0.0000  0.2171  1
  Au  Au11  2  0.4890  0.5000  0.9947  1
]