data_[Ac4B4N10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  B  2.0400  0.8500  0.4100
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9295]
_cell_length_b [3.6816]
_cell_length_c [5.9523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2B2N5]
_chemical_formula_sum '[Ac4 B4 N10]'
_cell_volume [239.4518]
_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  0.1230  0.5000  0.6874  1
  B  B1  4  0.1126  0.0000  0.1377  1
  N  N2  4  0.1259  0.0000  0.3758  1
  N  N3  4  0.2248  0.0000  0.9836  1
  N  N4  2  0.0000  0.0000  0.0000  1
]