data_[Ac12P8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.0807]
_cell_length_b [14.3696]
_cell_length_c [10.7286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac3P2Au]
_chemical_formula_sum '[Ac12 P8 Au4]'
_cell_volume [783.2716]
_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  8  0.0000  0.3753  0.5520  1
  Ac  Ac1  4  0.0000  0.0986  0.7500  1
  P  P2  4  0.0000  0.0000  0.0000  1
  P  P3  4  0.0000  0.4906  0.2500  1
  Au  Au4  4  0.0000  0.2393  0.2500  1
]