data_[Ac3Co1B2N6]
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
  B  2.0400  0.8500  0.4100
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.5473]
_cell_length_b [5.5473]
_cell_length_c [6.4763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ac3Co(BN3)2]
_chemical_formula_sum '[Ac3 Co1 B2 N6]'
_cell_volume [172.5907]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.6765  1
  Ac  Ac1  1  0.0000  0.0000  0.0000  1
  Co  Co2  1  0.0000  0.0000  0.5000  1
  B  B3  2  0.3333  0.6667  0.2732  1
  N  N4  6  0.1803  0.3605  0.2917  1
]