data_[Er4Ag4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [5.3836]
_cell_length_b [5.3836]
_cell_length_c [12.0542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [ErAgS2]
_chemical_formula_sum '[Er4 Ag4 S8]'
_cell_volume [349.3685]
_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  0.0000  0.7542  1.0
  Ag  Ag1  4  0.0000  0.0000  0.2110  1.0
  S  S2  4  0.0000  0.0000  0.5303  1.0
  S  S3  4  0.0000  0.0000  0.9831  1.0
]