data_[Ac2B2N4F2]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5097]
_cell_length_b [4.3984]
_cell_length_c [7.6581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcBN2F]
_chemical_formula_sum '[Ac2 B2 N4 F2]'
_cell_volume [200.8987]
_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  2  0.3113  0.2500  0.1268  1
  B  B1  2  0.3481  0.2500  0.6409  1
  N  N2  2  0.3171  0.2500  0.4566  1
  N  N3  2  0.4141  0.2500  0.8292  1
  F  F4  2  0.1008  0.7500  0.0856  1
]