data_[Ac4Rh3Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1580]
_cell_length_b [4.5675]
_cell_length_c [11.5048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ac4Rh3Au]
_chemical_formula_sum '[Ac4 Rh3 Au1]'
_cell_volume [218.4952]
_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  1  0.0000  0.0000  0.1418  1
  Ac  Ac1  1  0.0000  0.5000  0.8556  1
  Ac  Ac2  1  0.5000  0.0000  0.6377  1
  Ac  Ac3  1  0.5000  0.5000  0.3753  1
  Rh  Rh4  1  0.0000  0.0000  0.4065  1
  Rh  Rh5  1  0.0000  0.5000  0.5901  1
  Rh  Rh6  1  0.5000  0.0000  0.9124  1
  Au  Au7  1  0.5000  0.5000  0.0806  1
]