data_[Sr9Er9Ag3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [R-3m]
_cell_length_a [8.0151]
_cell_length_b [8.0151]
_cell_length_c [20.2527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr3Er3AgS8]
_chemical_formula_sum '[Sr9 Er9 Ag3 S24]'
_cell_volume [1126.7666]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  9  0.0000  0.5000  0.0000  1
  Er  Er1  9  0.0000  0.5000  0.5000  1
  Ag  Ag2  3  0.0000  0.0000  0.5000  1
  S  S3  18  0.0143  0.5072  0.7581  1
  S  S4  6  0.0000  0.0000  0.2423  1
]