data_[Er8N4Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7164]
_cell_length_b [3.7966]
_cell_length_c [7.1362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2NCl2]
_chemical_formula_sum '[Er8 N4 Cl8]'
_cell_volume [528.1501]
_cell_formula_units_Z [4]
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  0.1718  0.0000  0.8593  1
  Er  Er1  4  0.1809  0.5000  0.4309  1
  N  N2  4  0.2100  0.0000  0.6006  1
  Cl  Cl3  4  0.0821  0.5000  0.7135  1
  Cl  Cl4  4  0.1069  0.0000  0.1862  1
]