data_[Er4Pb4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1233]
_cell_length_b [10.2772]
_cell_length_c [10.2741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4929]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ErPbCl5]
_chemical_formula_sum '[Er4 Pb4 Cl20]'
_cell_volume [956.6583]
_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  0.2500  0.2500  0.5000  1
  Pb  Pb1  4  0.0000  0.4125  0.7500  1
  Cl  Cl2  8  0.0977  0.2061  0.6436  1
  Cl  Cl3  8  0.2222  0.4988  0.5300  1
  Cl  Cl4  4  0.0000  0.2672  0.2500  1
]