data_[Ac16Co6Br8N2]
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
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5560]
_cell_length_b [8.2364]
_cell_length_c [9.5568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac8Co3Br4N]
_chemical_formula_sum '[Ac16 Co6 Br8 N2]'
_cell_volume [988.5893]
_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  0.0154  0.2375  0.3142  1
  Ac  Ac1  4  0.2288  0.0000  0.6884  1
  Ac  Ac2  4  0.2312  0.5000  0.6892  1
  Co  Co3  4  0.2500  0.2500  0.5000  1
  Co  Co4  2  0.0000  0.5000  0.5000  1
  Br  Br5  4  0.2500  0.2500  0.0000  1
  Br  Br6  2  0.0000  0.0000  0.0000  1
  Br  Br7  2  0.0000  0.5000  0.0000  1
  N  N8  2  0.0000  0.0000  0.5000  1
]