data_[Ac8Pt6Br1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [11.5959]
_cell_length_b [11.5959]
_cell_length_c [4.5913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Ac8Pt6Br]
_chemical_formula_sum '[Ac8 Pt6 Br1]'
_cell_volume [534.6653]
_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  6  0.0301  0.3573  0.7448  1
  Ac  Ac1  2  0.3333  0.6667  0.2528  1
  Pt  Pt2  6  0.1485  0.6649  0.7537  1
  Br  Br3  1  0.0000  0.0000  0.5000  1
]