data_[Er12C4N2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9958]
_cell_length_b [3.4577]
_cell_length_c [6.8866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6C2NO3]
_chemical_formula_sum '[Er12 C4 N2 O6]'
_cell_volume [347.8298]
_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  4  0.0027  0.0000  0.2447  1.0
  Er  Er1  4  0.1648  0.5000  0.0887  1.0
  Er  Er2  4  0.1683  0.5000  0.5781  1.0
  C  C3  4  0.1647  0.0000  0.3296  1.0
  N  N4  2  0.0000  0.5000  0.0000  1.0
  O  O5  4  0.1657  0.0000  0.8346  1.0
  O  O6  2  0.0000  0.5000  0.5000  1.0
]