data_[Ac12Co2Ni4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4302]
_cell_length_b [12.8702]
_cell_length_c [8.6081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6CoNi2Br3]
_chemical_formula_sum '[Ac12 Co2 Ni4 Br6]'
_cell_volume [788.3733]
_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  0.2272  0.1633  0.1915  1
  Ac  Ac1  4  0.2373  0.5000  0.1916  1
  Co  Co2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  4  0.0000  0.3333  0.0000  1
  Br  Br4  4  0.0000  0.1659  0.5000  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]