data_[Ac3P2Pt6Au1]
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
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.6836]
_cell_length_b [5.6836]
_cell_length_c [10.2299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ac3P2Pt6Au]
_chemical_formula_sum '[Ac3 P2 Pt6 Au1]'
_cell_volume [286.1888]
_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  0.3333  0.6667  0.5968  1
  Ac  Ac1  1  0.0000  0.0000  0.0000  1
  P  P2  2  0.3333  0.6667  0.1160  1
  Pt  Pt3  6  0.1632  0.3265  0.2755  1
  Au  Au4  1  0.0000  0.0000  0.5000  1
]