data_[Er4Hf2Ag4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Hf  1.3000  1.5500  0.8500
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7529]
_cell_length_b [11.5401]
_cell_length_c [6.8387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2Hf(AgS3)2]
_chemical_formula_sum '[Er4 Hf2 Ag4 S12]'
_cell_volume [492.9610]
_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  4  0.0000  0.3327  0.5000  1.0
  Hf  Hf1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  4  0.0000  0.1769  0.0000  1.0
  S  S3  8  0.2471  0.1585  0.7291  1.0
  S  S4  4  0.2245  0.0000  0.2697  1.0
]