data_[Hf2Cr2Ag2S8]
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 [P2/m]
_cell_length_a [6.1004]
_cell_length_b [3.6106]
_cell_length_c [12.9314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [HfCrAgS4]
_chemical_formula_sum '[Hf2 Cr2 Ag2 S8]'
_cell_volume [284.7693]
_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
[
  Hf  Hf0  2  0.4874  0.5000  0.2532  1.0
  Cr  Cr1  2  0.0142  0.0000  0.2452  1.0
  Ag  Ag2  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag3  1  0.5000  0.5000  0.0000  1.0
  S  S4  2  0.1409  0.5000  0.6500  1.0
  S  S5  2  0.1530  0.5000  0.1382  1.0
  S  S6  2  0.3250  0.0000  0.8575  1.0
  S  S7  2  0.3341  0.0000  0.3667  1.0
]