data_[Cs1Li1Er2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [6.8085]
_cell_length_b [8.3400]
_cell_length_c [6.9978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5067]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsLiEr2Cl8]
_chemical_formula_sum '[Cs1 Li1 Er2 Cl8]'
_cell_volume [392.9817]
_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
[
  Cs  Cs0  1  0.0000  0.5000  0.0000  1
  Li  Li1  1  0.0000  0.0000  0.0000  1
  Er  Er2  2  0.5000  0.2377  0.5000  1
  Cl  Cl3  4  0.2521  0.2022  0.1865  1
  Cl  Cl4  2  0.2988  0.0000  0.6389  1
  Cl  Cl5  2  0.3110  0.5000  0.6228  1
]