data_[Ce2Er2Ti2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [P2_1/m]
_cell_length_a [7.1708]
_cell_length_b [3.3692]
_cell_length_c [7.9546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeErTiN3]
_chemical_formula_sum '[Ce2 Er2 Ti2 N6]'
_cell_volume [191.8981]
_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
[
  Ce  Ce0  2  0.1510  0.7500  0.1747  1
  Er  Er1  2  0.3752  0.2500  0.8546  1
  Ti  Ti2  2  0.1232  0.7500  0.5826  1
  N  N3  2  0.1399  0.7500  0.8335  1
  N  N4  2  0.1595  0.2500  0.4549  1
  N  N5  2  0.3863  0.2500  0.1313  1
]