data_[Ac6As10Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.5107]
_cell_length_b [13.6446]
_cell_length_c [10.5624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ac3As5Au6]
_chemical_formula_sum '[Ac6 As10 Au12]'
_cell_volume [650.0757]
_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  4  0.0000  0.3344  0.7556  1
  Ac  Ac1  2  0.0000  0.0000  0.7351  1
  As  As2  4  0.0000  0.1333  0.4804  1
  As  As3  4  0.0000  0.3262  0.1391  1
  As  As4  2  0.0000  0.0000  0.1843  1
  Au  Au5  4  0.0000  0.1429  0.0008  1
  Au  Au6  4  0.0000  0.3190  0.3854  1
  Au  Au7  2  0.0000  0.5000  0.0198  1
  Au  Au8  2  0.0000  0.5000  0.5308  1
]