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 [Imma]
_cell_length_a [7.4259]
_cell_length_b [7.4871]
_cell_length_c [10.3994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [HfCrAgS4]
_chemical_formula_sum '[Hf4 Cr4 Ag4 S16]'
_cell_volume [578.1935]
_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  0.0000  0.0000  0.5000  1.0
  Cr  Cr1  4  0.2500  0.2500  0.7500  1.0
  Ag  Ag2  4  0.0000  0.2500  0.1361  1.0
  S  S3  8  0.0000  0.0368  0.7441  1.0
  S  S4  8  0.2343  0.2500  0.5137  1.0
]