data_[Er2Al2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1948]
_cell_length_b [12.8099]
_cell_length_c [6.1891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErAlCl6]
_chemical_formula_sum '[Er2 Al2 Cl12]'
_cell_volume [470.1215]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Al  Al1  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl2  8  0.2220  0.6299  0.7220  1.0
  Cl  Cl3  4  0.2388  0.5000  0.2613  1.0
]