data_[Ac4Zn4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Zn  1.6500  1.3500  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6304]
_cell_length_b [5.4426]
_cell_length_c [7.8907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcZnN]
_chemical_formula_sum '[Ac4 Zn4 N4]'
_cell_volume [240.8018]
_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  0.2232  0.0000  0.8272  1
  Zn  Zn1  4  0.2007  0.5000  0.5834  1
  N  N2  4  0.2352  0.5000  0.8476  1
]