data_[Ac6Os6Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3583]
_cell_length_b [4.3583]
_cell_length_c [35.8988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [AcOsBr]
_chemical_formula_sum '[Ac6 Os6 Br6]'
_cell_volume [590.5421]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.8381  1
  Ac  Ac1  3  0.0000  0.0000  0.9591  1
  Os  Os2  3  0.0000  0.0000  0.2319  1
  Os  Os3  3  0.0000  0.0000  0.5653  1
  Br  Br4  3  0.0000  0.0000  0.4485  1
  Br  Br5  3  0.0000  0.0000  0.6820  1
]