data_[Hf4Cr4Ag4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cr  1.6600  1.4000  0.9400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I2_12_12_1]
_cell_length_a [7.4323]
_cell_length_b [7.5357]
_cell_length_c [10.3105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [24]
_chemical_formula_structural [HfCrAgS4]
_chemical_formula_sum '[Hf4 Cr4 Ag4 S16]'
_cell_volume [577.4667]
_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
[
  Hf  Hf0  4  0.0091  0.5000  0.2500  1.0
  Cr  Cr1  4  0.2500  0.2484  0.0000  1.0
  Ag  Ag2  4  0.0000  0.2500  0.6085  1.0
  S  S3  8  0.0010  0.5394  0.4958  1.0
  S  S4  8  0.2336  0.2455  0.2388  1.0
]