data_[Er1S8Cl2]
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 [P-1]
_cell_length_a [6.3913]
_cell_length_b [7.7672]
_cell_length_c [7.8561]
_cell_angle_alpha [63.1574]
_cell_angle_beta [70.1332]
_cell_angle_gamma [75.3089]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Er(S4Cl)2]
_chemical_formula_sum '[Er1 S8 Cl2]'
_cell_volume [324.9238]
_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
[
  Er  Er0  1  0.0000  0.0000  0.0000  1
  S  S1  2  0.0151  0.8195  0.3960  1
  S  S2  2  0.2130  0.0231  0.2623  1
  S  S3  2  0.4282  0.1644  0.7247  1
  S  S4  2  0.4816  0.4276  0.6607  1
  Cl  Cl5  2  0.2813  0.7267  0.9402  1
]