data_[Er2C16N8Cl14]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_12_12]
_cell_length_a [8.9463]
_cell_length_b [13.8522]
_cell_length_c [8.4914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [18]
_chemical_formula_structural [ErC8N4Cl7]
_chemical_formula_sum '[Er2 C16 N8 Cl14]'
_cell_volume [1052.3093]
_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  2  0.0000  0.0000  0.6383  1
  C  C1  4  0.0792  0.3271  0.3427  1
  C  C2  4  0.1767  0.3439  0.6185  1
  C  C3  4  0.2142  0.5354  0.9442  1
  C  C4  4  0.2307  0.1759  0.8814  1
  N  N5  4  0.1390  0.3426  0.4675  1
  N  N6  4  0.2284  0.6041  0.0424  1
  Cl  Cl7  4  0.1174  0.8913  0.8305  1
  Cl  Cl8  4  0.1380  0.8826  0.3558  1
  Cl  Cl9  4  0.2317  0.1095  0.6006  1
  Cl  Cl10  2  0.0000  0.5000  0.9089  1
]