data_[Ac4Cu4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [3.9034]
_cell_length_b [9.2554]
_cell_length_c [6.6927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4635]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AcCuN]
_chemical_formula_sum '[Ac4 Cu4 N4]'
_cell_volume [230.6446]
_cell_formula_units_Z [4]
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  0.3755  0.6609  0.6129  1
  Cu  Cu1  4  0.1237  0.0561  0.3757  1
  N  N2  4  0.2731  0.1297  0.1380  1
]