data_[Er2Ag6S6]
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 [Pmc2_1]
_cell_length_a [19.0957]
_cell_length_b [7.5326]
_cell_length_c [7.8885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Er(AgS)3]
_chemical_formula_sum '[Er2 Ag6 S6]'
_cell_volume [1134.6916]
_cell_formula_units_Z [2]
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  2  0.0000  0.1210  0.4880  1
  Ag  Ag1  4  0.0772  0.4559  0.1273  1
  Ag  Ag2  2  0.0000  0.2851  0.8408  1
  S  S3  4  0.1072  0.2372  0.6479  1
  S  S4  2  0.0000  0.1936  0.1545  1
]