data_[Ac12Pt6Br4]
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 [C2/m]
_cell_length_a [7.7571]
_cell_length_b [13.4303]
_cell_length_c [8.2398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9405]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6Pt3Br2]
_chemical_formula_sum '[Ac12 Pt6 Br4]'
_cell_volume [816.6858]
_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  8  0.2374  0.1634  0.2051  1
  Ac  Ac1  4  0.2274  0.5000  0.2053  1
  Pt  Pt2  4  0.0000  0.3316  0.0000  1
  Pt  Pt3  2  0.0000  0.0000  0.0000  1
  Br  Br4  4  0.0000  0.1683  0.5000  1
]