data_[Ho4Ag4Pb4Se4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0253]
_cell_length_b [13.4798]
_cell_length_c [10.7031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [HoAgPbSeS2]
_chemical_formula_sum '[Ho4 Ag4 Pb4 Se4 S8]'
_cell_volume [580.7581]
_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
[
  Ho  Ho0  4  0.0000  0.0000  0.0000  1
  Ag  Ag1  4  0.0000  0.4671  0.2500  1
  Pb  Pb2  4  0.0000  0.2329  0.7500  1
  Se  Se3  4  0.0000  0.0971  0.2500  1
  S  S4  8  0.0000  0.3659  0.0548  1
]