data_[Er8S8Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2731]
_cell_length_b [5.3789]
_cell_length_c [7.8806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2S2Cl]
_chemical_formula_sum '[Er8 S8 Cl4]'
_cell_volume [489.7777]
_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  0.0072  0.5000  0.7432  1.0
  Er  Er1  4  0.1636  0.0000  0.5743  1.0
  S  S2  4  0.0070  0.0000  0.7478  1.0
  S  S3  4  0.1678  0.5000  0.5823  1.0
  Cl  Cl4  4  0.1573  0.5000  0.0929  1.0
]