data_[Er4Al4In8S24]
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
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.0972]
_cell_length_b [13.2693]
_cell_length_c [6.7848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ErAl(InS3)2]
_chemical_formula_sum '[Er4 Al4 In8 S24]'
_cell_volume [1013.1076]
_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  0.0000  0.0947  0.7500  1.0
  Al  Al1  4  0.0000  0.1689  0.2500  1.0
  In  In2  8  0.1187  0.4113  0.6521  1.0
  S  S3  8  0.1177  0.2266  0.5743  1.0
  S  S4  8  0.1202  0.4132  0.0244  1.0
  S  S5  8  0.1281  0.0641  0.1699  1.0
]