data_[K1Li1Er2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6330]
_cell_length_b [8.1690]
_cell_length_c [6.6864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KLiEr2Cl8]
_chemical_formula_sum '[K1 Li1 Er2 Cl8]'
_cell_volume [359.8264]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Er  Er2  2  0.5000  0.2416  0.5000  1.0
  Cl  Cl3  4  0.2148  0.2165  0.2038  1.0
  Cl  Cl4  2  0.3147  0.0000  0.6736  1.0
  Cl  Cl5  2  0.3241  0.5000  0.6630  1.0
]