data_[Ac12Pt6S4Br2]
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
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9126]
_cell_length_b [4.3502]
_cell_length_c [9.2293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6Pt3S2Br]
_chemical_formula_sum '[Ac12 Pt6 S4 Br2]'
_cell_volume [761.2574]
_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  0.0033  0.0000  0.7228  1
  Ac  Ac1  4  0.1638  0.5000  0.5912  1
  Ac  Ac2  4  0.1773  0.5000  0.0763  1
  Pt  Pt3  4  0.1651  0.0000  0.8318  1
  Pt  Pt4  2  0.0000  0.5000  0.5000  1
  S  S5  4  0.1653  0.0000  0.3302  1
  Br  Br6  2  0.0000  0.5000  0.0000  1
]