data_[Ce2Er2I2N4]
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
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3795]
_cell_length_b [4.1933]
_cell_length_c [8.0157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeErIN2]
_chemical_formula_sum '[Ce2 Er2 I2 N4]'
_cell_volume [235.1894]
_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  0.3594  0.7500  0.0884  1.0
  Er  Er1  2  0.3681  0.7500  0.5837  1.0
  I  I2  2  0.0292  0.2500  0.7455  1.0
  N  N3  2  0.4836  0.2500  0.1153  1.0
  N  N4  2  0.4957  0.2500  0.6294  1.0
]