data_[Ac4Er8Ti4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Er  1.2400  1.7500  1.0300
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4715]
_cell_length_b [12.0506]
_cell_length_c [11.7876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [AcEr2TiN4]
_chemical_formula_sum '[Ac4 Er8 Ti4 N16]'
_cell_volume [493.1144]
_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  0.0000  0.0925  0.7500  1
  Er  Er1  8  0.0000  0.3706  0.5403  1
  Ti  Ti2  4  0.0000  0.1702  0.2500  1
  N  N3  8  0.0000  0.2607  0.1197  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.4189  0.7500  1
]