data_[Er8N2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.4832]
_cell_length_b [5.4832]
_cell_length_c [10.0439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Er4NO4]
_chemical_formula_sum '[Er8 N2 O8]'
_cell_volume [301.9743]
_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
[
  Er  Er0  8  0.2198  0.2198  0.8787  1
  N  N1  2  0.0000  0.0000  0.0000  1
  O  O2  4  0.0000  0.0000  0.2785  1
  O  O3  4  0.0000  0.5000  0.0000  1
]