data_[K4Er4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Er  1.2400  1.7500  1.0300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6268]
_cell_length_b [15.1773]
_cell_length_c [6.6647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KErCl4]
_chemical_formula_sum '[K4 Er4 Cl16]'
_cell_volume [787.0477]
_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
[
  K  K0  4  0.0000  0.3412  0.7500  1.0
  Er  Er1  4  0.0000  0.0811  0.2500  1.0
  Cl  Cl2  8  0.1616  0.8027  0.6904  1.0
  Cl  Cl3  8  0.2034  0.9578  0.2295  1.0
]