data_[Er4Cu8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.7510]
_cell_length_b [11.8250]
_cell_length_c [6.5557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er(CuCl3)2]
_chemical_formula_sum '[Er4 Cu8 Cl24]'
_cell_volume [1052.4303]
_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  0.0000  0.0950  0.7500  1.0
  Cu  Cu1  8  0.1190  0.4216  0.7398  1.0
  Cl  Cl2  8  0.1080  0.0667  0.1130  1.0
  Cl  Cl3  8  0.1220  0.2436  0.6338  1.0
  Cl  Cl4  8  0.1236  0.4161  0.0824  1.0
]