data_[Ac8Cr8N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3252]
_cell_length_b [10.6738]
_cell_length_c [6.0340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AcCrN3]
_chemical_formula_sum '[Ac8 Cr8 N24]'
_cell_volume [643.0734]
_cell_formula_units_Z [8]
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  0.0000  0.0999  0.7500  1
  Ac  Ac1  4  0.0000  0.3395  0.2500  1
  Cr  Cr2  8  0.2151  0.4149  0.7616  1
  N  N3  8  0.1178  0.1141  0.1665  1
  N  N4  8  0.1329  0.2844  0.6660  1
  N  N5  8  0.1660  0.4786  0.0188  1
]